SCHEMBL6528644

SCHEMBL6528644

COc1cccc2nc(-c3ccc(C(=O)O)cc3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 4/20 0.56
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
CHEK2 O96017 3/20 0.49
TNKS O95271 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL28027631 0.84 TNKS (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL7945644 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL7943519 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL12696294 0.79 TNKS (0.52) KDM4EALDH1A1HPGDCYP1A2TNKS
SCHEMBL24021017 0.77 CDK9 (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL30310501 0.77 CDK9 (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL4740751 0.76 GUSB (0.59) KDM4EALDH1A1HPGDCYP1A2NPC1
SCHEMBL7941257 0.75 KMT2A (0.54) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL1664216 0.73 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL16638382 0.73 DHODH (0.70) KDM4EALDH1A1HPGDKMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005087740-A1 FLUORENONE 1, 4,-DIHYDROPYRIDIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-09-22 WO disclosed
WO-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed
EP-1472229-A1 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS Bayer HealthCare AG (DE) 2004-11-03 EP disclosed
WO-2003064394-A1 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-08-07 WO disclosed