SCHEMBL9854434

SCHEMBL9854434

CCCCc1nc2ccc3ccccc3c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ELANE P08246 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ATM Q13315 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
SCHEMBL12111149 0.84 TNKS2 (0.54) PARP1KDM4ECYP3A4TNKS2ATM
SCHEMBL15722032 0.79 PARP1 (0.59) PARP1POLBKDM4ECYP1A2CYP3A4
SCHEMBL29769683 0.79 PARP1 (0.59) PARP1POLBKDM4ECYP1A2CYP3A4
SCHEMBL6515060 0.78 TDP1 (0.42) PARP1KDM4ECYP3A4TSHRHSD17B10
SCHEMBL7622606 0.78 KIF11 (0.41) KDM4ECYP3A4TSHRHSD17B10KMT2A
SCHEMBL1424370 0.75 PARP1 (0.55) PARP1POLB
SCHEMBL6755253 0.75 PARP1 (0.54) PARP1POLBKDM4ECYP1A2CYP3A4
SCHEMBL6756139 0.75 PARP1 (0.47) PARP1POLBKDM4EKMT2AMEN1
SCHEMBL29900512 0.74 PARP1 (1.00) PARP1KMT2AMEN1TNKS2
SCHEMBL168776 0.74 PARP1 (1.00) PARP1KMT2AMEN1TNKS2

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
CN-1051358-A Condensed imdazole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-05-15 CN disclosed
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed