SCHEMBL4457716

SCHEMBL4457716

Cc1nc2cccc(C(=O)O)c2n1CCO

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.52
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.43
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FABP4 P15090 1/20 0.40

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
SCHEMBL3996562 0.74 TSHR (0.47) TSHRKMT2AALDH1A1
SCHEMBL6168745 0.74 LMNA (0.47) DHODHTSHRKMT2AFABP4
SCHEMBL29308340 0.74 DHODH (0.51) DHODHTSHRKMT2AALDH1A1FABP4
SCHEMBL13387272 0.73 HTR3A (0.40) DHODH
SCHEMBL13387271 0.73 HTR3A (0.40) DHODH
SCHEMBL13387318 0.73 HTR3A (0.40) DHODH
SCHEMBL3828558 0.72 TSHR (0.83) TSHRKMT2AALDH1A1
SCHEMBL4453299 0.71 DPP4 (0.45) DHODHKMT2AAPAF1ALDH1A1
SCHEMBL4793832 0.70 DHODH (0.65) DHODH
SCHEMBL1520226 0.70 KMT2A (0.62) TSHRKMT2AAPAF1ALDH1A1

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
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed