SCHEMBL3722376

SCHEMBL3722376

COc1ccccc1-c1nc(=O)c2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.58
AURKA O14965 1/20 0.58
PARP1 P09874 1/20 0.54
AMY1A P0DUB6 1/20 0.50
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
GUSB P08236 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
C1R P00736 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7674037 0.89 FGFR1 (0.52) PDE5AAURKAPARP1AMY1AFGFR1
SCHEMBL7669897 0.85 PDE2A (0.60) PARP1GUSBABCG2RAB9ANPC1
SCHEMBL7672854 0.85 KDM4E (0.50) GUSBABCG2RAB9ANPC1KDM4E
SCHEMBL10628266 0.84 PDE5A (0.42) PDE5AAURKAPARP1AMY1AFGFR1
SCHEMBL7674286 0.79 GUSB (0.64) PARP1GUSBNPC1KDM4EMEN1
SCHEMBL6887071 0.79 ALDH1A1 (0.52) PARP1FGFR1RAB9ANPC1KDM4E
SCHEMBL11245650 0.79 PDE5A (0.46) PDE5APARP1GUSBRAB9ANPC1
SCHEMBL31027930 0.78 AMY1A (0.76) PDE5AAURKAPARP1AMY1ARAB9A
SCHEMBL2096956 0.78 AMY1A (0.76) PDE5AAURKAPARP1AMY1ARAB9A
SCHEMBL11332812 0.77 NPC1 (0.61) FGFR1FGFR2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed