SCHEMBL10584876

SCHEMBL10584876

Nc1ccc(Cl)c(Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.49
▸ CTSC P53634 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TRPV1 Q8NER1 4/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ P2RY1 P47900 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
SCHEMBL9358482 0.83 TEAD1 (0.55) PTGS1POLBTRPV1TEAD1MAPT
SCHEMBL9362813 0.81 MAPT (0.50) POLBSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL10585355 0.78 MEN1 (0.47) SMN1; SMN2TRPV1MAPT
SCHEMBL30114377 0.76 PTGS1 (0.60) PTGS1
SCHEMBL10585521 0.74 KDM4E (0.55) PTGS1CTSCPOLBKDM4EALDH1A1
SCHEMBL30503074 0.74 NPC1 (0.45) PTGS1TRPV1MAPT
SCHEMBL25876884 0.74 NPC1 (0.45) PTGS1TRPV1MAPT
SCHEMBL23337972 0.73 TRPV1 (0.42) RPS6KA3POLBSMN1; SMN2ALDH1A1TRPV1
SCHEMBL5929115 0.72 TRPV1 (0.58) TRPV1
SCHEMBL24497427 0.72 TEAD1 (0.50) PTGS1TRPV1TEAD1

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-0320448-A2 3-Aminobenzoyl phenyl urea CIBA-GEIGY AG (CH) 1989-06-14 — — EP claimed
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