SCHEMBL633797

SCHEMBL633797

COc1cc(CO[C]=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
SIRT6 Q8N6T7 1/20 0.44
TTR P02766 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL2031473 0.84 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL10335845 0.83 TSHR (0.43) ALDH1A1TDP1LMNASMN1; SMN2HTT
SCHEMBL1531355 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL18138414 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL633798 0.79 ALDH1A1 (0.46) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL28917336 0.79 ALDH1A1 (0.46) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL8604 0.79 CA2 (0.57) ALDH1A1GAAMAPTCYP3A4CYP1A2
SCHEMBL520427 0.78 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6TTR
SCHEMBL520466 0.78 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6TTR

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