SCHEMBL9739503

SCHEMBL9739503

COc1ccccc1Cc1ccc2[nH]c[c]c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
SNCA P37840 2/20 0.39
LTA4H P09960 1/20 0.39
CHEK2 O96017 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CALM1 P0DP23 1/20 0.36
AR P10275 1/20 0.36
IDH1 O75874 1/20 0.36
HTR2C P28335 1/20 0.36
CA2 P00918 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ROCK1 Q13464 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
SCHEMBL9738870 0.84 APLNR (0.42) IDO1CA2
SCHEMBL9740073 0.80 TUBB4A (0.51) CALM1HTR2CCA2ALDH1A1
SCHEMBL9739054 0.75 IDO1 (0.44) IDO1SNCALTA4HCHEK2TAAR1
SCHEMBL5365772 0.73 PTPRC (0.47) ARKDM4EALDH1A1
SCHEMBL22800044 0.73 CA2 (0.52) IDO1LTA4HTAAR1CA2CHRM2
SCHEMBL1923230 0.71 HTR1D (0.39) ALDH1A1
SCHEMBL25798810 0.70 PDE10A (0.59) LTA4HCALM1
SCHEMBL28704684 0.69 MAPK1 (0.47) IDO1LTA4HCHEK2ARKDM4E
SCHEMBL14243461 0.69 CALM1 (0.59) TAAR1CALM1ARCA2KDM4E
SCHEMBL28711054 0.69 ALDH1A1 (0.56) IDO1LTA4HTAAR1CALM1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed