SCHEMBL6983005

SCHEMBL6983005

CCNC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL6979040 0.94 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6978077 0.94 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6981489 0.90 FPR1 (0.36) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6983568 0.89 GABRA1 (0.37) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6975197 0.89 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6983182 0.88 TSHR (0.41) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6983481 0.88 GABRA1 (0.38) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6983106 0.87 TSHR (0.35) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6982874 0.86 MCL1 (0.36) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6980559 0.86 FPR1 (0.35) CYP1A2CYP3A4CYP2C9HTTALDH1A1

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-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed