SCHEMBL9646305

SCHEMBL9646305

Nc1ccc2c(=O)n(Cc3cccnc3)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.70
PKM P14618 3/20 0.47
KMT2A Q03164 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MAPK10 P53779 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AXL P30530 1/20 0.43
CYBB P04839 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9646389 0.85 ALOX5 (0.70) ALOX5PKMKMT2AOPRM1OPRD1
SCHEMBL9596545 0.83 ALOX5 (1.00) ALOX5PKMMAPK10KDM4EL3MBTL1
SCHEMBL9646981 0.82 ALOX5 (0.66) ALOX5PKMKMT2AOPRM1OPRD1
SCHEMBL9645173 0.74 ALOX5 (0.54) ALOX5PKMKMT2AOPRM1OPRD1
SCHEMBL9647127 0.73 ALOX5 (0.53) ALOX5CYP2C9CYP2C19KDM4E
SCHEMBL9646928 0.72 ALOX5 (0.59) ALOX5
SCHEMBL5864063 0.71 ALDH1A1 (0.51) ALOX5PKMMAPK10KDM4E
Hydrochloric Acid SCHEMBL19896459 0.70 SRC (0.61) PKMKMT2AOPRM1OPRD1MAPK10
SCHEMBL18149885 0.69 NPSR1 (0.49) ALOX5L3MBTL1
SCHEMBL9646339 0.69 ALOX5 (0.51) ALOX5

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed