SCHEMBL633798

SCHEMBL633798

COc1cc(COC=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 7/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
TTR P02766 1/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27390549 0.84 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL2031473 0.84 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL2946184 0.83 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL10335846 0.83 TSHR (0.43) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL1531355 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL18138414 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL28917336 0.79 ALDH1A1 (0.46) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL633797 0.79 ALDH1A1 (0.46) ALDH1A1TDP1LMNAMAPTCYP3A4
SCHEMBL8605 0.79 CA2 (0.57) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL27110967 0.79 TDP1 (0.50) ALDH1A1TDP1LMNAMAPTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590328-B1 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2012-02-22 EP disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO disclosed
US-7696225-B2 (2-carboxamido)(3-Amino) thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-7618965-B2 N-(3-{[1-(dimethylamino)-2-nitrovinyl]amino}phenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide; neuroblastoma, mast cell leukemia, angiosarcoma, anaplastic large cell lymphoma, endometrial carcinoma, and prostate carcinoma OSI PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-7524859-B2 (2-carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7388012-B2 (Hydrazido)(amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
EP-1590328-A4 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2007-09-19 EP disclosed
EP-1817310-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO-ONCOGENE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed