SCHEMBL19904259

SCHEMBL19904259

Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.62
ABL1 P00519 9/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL19545229 0.90 ABL1 (0.54) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL19226013 0.88 TRPV1 (0.68) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15391815 0.85 TRPV1 (0.67) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15391724 0.83 TRPV1 (0.63) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15388744 0.83 ABL1 (0.64) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15392218 0.82 ABL1 (0.66) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15392510 0.82 TRPV1 (0.67) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL15393163 0.82 ABL1 (0.65) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL29771403 0.82 TRPV1 (0.67) TRPV1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL16623348 0.81 TRPV1 (0.76) TRPV1ABL1MEN1KMT2ASMN1; SMN2

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-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 EP disclosed