SCHEMBL12405524

SCHEMBL12405524

CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA12 O43570 3/20 0.52
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CA2 P00918 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA4 P22748 2/20 0.44
▸ S100B P04271 1/20 0.43

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
SCHEMBL13155491 0.88 CA9 (0.65) CA9CA1CA12HTTALDH1A1
SCHEMBL24236780 0.84 MEN1 (0.53) CA9CA1CA12HTTALDH1A1
SCHEMBL10098928 0.84 CA9 (0.60) CA9CA1CA12HTTALDH1A1
SCHEMBL1696020 0.82 CA9 (0.58) CA9CA1CA12HTTALDH1A1
SCHEMBL4570499 0.81 MMP13 (0.61) CA9CA1CA12HTTALDH1A1
SCHEMBL15397123 0.81 CA9 (0.51) CA9CA1CA12HTTALDH1A1
SCHEMBL24236728 0.79 PTGS1 (0.51) CA9CA1CA12ALDH1A1RAB9A
SCHEMBL15397059 0.79 NPSR1 (0.57) CA9CA1CA12HTTALDH1A1
SCHEMBL22199971 0.78 CA9 (0.59) CA9CA1CA12ALDH1A1POLB
SCHEMBL1960350 0.78 ALDH1A1 (0.50) CA9CA1CA12ALDH1A1POLB

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
US-8329367-B2 Polyamideimide containing photoconductors XEROX CORPORATION (US) 2012-12-11 — — US disclosed
US-20110183245-A1 POLYAMIDEIMIDE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2011-07-28 — — US disclosed
Send feedback