SCHEMBL9702588

SCHEMBL9702588

O=c1[nH]c(-c2ccc(Cl)c(Cl)c2Cl)ccc1-c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.32
CES1 P23141 1/20 0.30
AHR P35869 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL5809202 0.82 AHR (0.39) ALPLCES1AHR
SCHEMBL9525656 0.81 NOTUM (0.40) AHRMAPT
SCHEMBL9701671 0.75 BRD4 (0.42) ALDH1A1
SCHEMBL9535284 0.73 KDM4E (0.41) ALPL
SCHEMBL9700393 0.72
SCHEMBL9754365 0.72 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL9754399 0.70 MAOB (0.36) ALDH1A1MAPT
SCHEMBL9754396 0.70 ACVR1 (0.42) ALDH1A1MAPT
SCHEMBL9251638 0.69 PTGER3 (0.46)
SCHEMBL9700756 0.69 SNCA (0.37) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed