SCHEMBL787149

SCHEMBL787149

[c]1nc2c(-c3nc4ccccc4o3)cccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.53
ALDH1A1 P00352 8/20 0.45
HPGD P15428 6/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 7/20 0.43
TP53 P04637 6/20 0.43
RAB9A P51151 6/20 0.43
HSD17B10 Q99714 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KDM6B O15054 1/20 0.43
KDM6A O15550 1/20 0.43
PTGS2 P35354 3/20 0.41

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
SCHEMBL2865414 0.80 TOP2A (0.49) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL29563651 0.77 TOP2A (0.82) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL1223141 0.77 TOP2A (0.82) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL5202659 0.75 TOP2A (0.57) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL4675235 0.75 ALDH1A1 (0.40) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL1377576 0.75 MAOB (0.48) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL10411212 0.75
SCHEMBL171055 0.75 TOP2A (0.62) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL29504749 0.75 TOP2A (0.62) TOP2AALDH1A1HPGDKDM4EMAPT
SCHEMBL12854009 0.73 TOP2A (0.60) TOP2AALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO claimed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP claimed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 WO claimed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US claimed
CN-117794533-A E3 ligase inhibitors and methods of use thereof 加利福尼亚大学董事会 2024-03-29 CN disclosed
CN-117384120-A Fluorene-containing triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-01-12 CN disclosed
CN-107441100-B Compounds for treating ischemia reperfusion injury 武汉惠康达科技有限公司 2020-08-28 CN disclosed
EP-2419432-B9 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2016-02-17 EP disclosed
EP-2419432-B1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2013-11-20 EP disclosed
EP-2616457-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES Nitto Denko Corporation (JP) 2013-07-24 EP disclosed
WO-2012037269-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-03-22 WO disclosed
WO-2011097260-A1 TRIS (ARYLBENZOXAZOLE) BENZENE AND TRIS (ARYLBENZOTHIAZOLE) BENZENE AS ORGANIC ELECTRON - TRANS PORT MATERIALS NITTO DENKO CORPORATION (JP) 2011-08-11 WO disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 WO disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 WO disclosed
EP-0719304-A1 PROCESS FOR THE PRODUCTION OF CYANINE DYES AGFA-GEVAERT N.V. (BE) 1996-07-03 EP disclosed
US-5491166-A ENZYME INHIBITORS, VIRICIDES ELI LILLY AND COMPANY (US) 1996-02-13 US disclosed
EP-0102318-B1 PREPARATION OF BETA-AMINO-ALPHA,BETA-UNSATURATED CARBOXYLIC-ACID ESTERS CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed
EP-0071819-A1 Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation BAYER AG (DE) 1983-02-16 EP disclosed
US-4065427-A Polychromophoric heterocyclic ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1977-12-27 US disclosed