SCHEMBL6979040

SCHEMBL6979040

CCNC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(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 6/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
KMT2A Q03164 3/20 0.37
NOTUM Q6P988 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 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
SCHEMBL6983005 0.94 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6974311 0.89 GABRA1 (0.37) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6978077 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6974001 0.86 PSEN1 (0.35) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6977199 0.85 GABRA1 (0.39) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6980050 0.84 GABRA1 (0.39) CYP1A2CYP3A4CYP2C9ALDH1A1FPR1
SCHEMBL1961296 0.84 GABRA1 (0.36) CYP1A2CYP3A4CYP2C9HTTALDH1A1
SCHEMBL6981489 0.83 FPR1 (0.36) CYP1A2CYP3A4CYP2C9HTTALDH1A1
Hydrochloric Acid SCHEMBL6977314 0.83 GABRA1 (0.36) CYP1A2CYP3A4CYP2C9HTTFPR1
SCHEMBL7084093 0.83 MCL1 (0.35) CYP1A2CYP3A4CYP2C9ALDH1A1KDM4E

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 5 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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed