SCHEMBL6819863

SCHEMBL6819863

N#Cc1c(Cl)cc(C(=O)O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.56
TSHR P16473 2/20 0.48
TPMT P51580 3/20 0.48
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
SRD5A2 P31213 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
PLAU P00749 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9099466 0.83 TTR (0.35) TTRTSHRALOX15POLBHTT
SCHEMBL10644829 0.76 CA12 (0.47) TSHRTPMTPOLBHTTMRGPRX4
SCHEMBL28436529 0.76 ALDH1A1 (0.41) TTRTSHRTPMTALOX15CA12
SCHEMBL28430472 0.74 TRPV4 (0.50) TTRTSHRTPMTALOX15HTT
SCHEMBL474019 0.74 TPMT (0.48) TTRTSHRTPMTALOX15HCAR1
SCHEMBL29878149 0.74 TPMT (0.48) TTRTSHRTPMTALOX15MRGPRX4
SCHEMBL17914245 0.74 ALDH1A1 (0.40) TSHRTPMTALOX15HTTCA12
SCHEMBL7263572 0.74 TTR (0.68) TTRTSHRTPMTALOX15SRD5A2
SCHEMBL11556678 0.74 TTR (0.76) TTRTSHRTPMTALOX15SRD5A2
SCHEMBL10495674 0.74 NOTUM (0.35) TTRTSHRMRGPRX4AURKATPX2

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
WO-2004013100-A2 N-[PHENYL(PIPERIDIN-2-YL)METHYL]BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2004-02-12 WO disclosed
EP-0600629-B1 N-acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
EP-0600629-A1 N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-08 EP disclosed
US-5304572-A N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-04-19 US disclosed
EP-0279698-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-24 EP disclosed