SCHEMBL434575

SCHEMBL434575

COCC(=N)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
ACHE P22303 2/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL14413122 0.79 HPGD (0.50) PARP1HPGDTDP1HDAC8HDAC6
SCHEMBL436125 0.78 TSHR (0.41) HPGDTDP1SMN1; SMN2KMT2ARAB9A
SCHEMBL1210113 0.78 CTNNB1 (0.58) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL31309786 0.78 CTNNB1 (0.58) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL31309803 0.77 PARP1 (0.44) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL24776935 0.77 PARP1 (0.52) PARP1HPGDTDP1HDAC8HDAC6
SCHEMBL22341510 0.76 HDAC8 (0.52) PARP1CTNNB1WNT3AHDAC8HDAC6
SCHEMBL28874159 0.74 CTNNB1 (0.54) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL21287986 0.74 F10 (0.45) HDAC8RAB9ANPC1
SCHEMBL10040531 0.73 TDP1 (0.49) PARP1CTNNB1WNT3AHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed