SCHEMBL16656789

SCHEMBL16656789

Cc1nc(CF)c(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAF1 P04049 1/20 0.40

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
SCHEMBL13186255 0.86 RAB9A (0.66) SMN1; SMN2RAB9ANPC1TP53CNR1
SCHEMBL10213156 0.83 KMT2A (0.56) SMN1; SMN2RAB9ANPC1TP53CNR1
SCHEMBL12424047 0.66 ABL1 (0.42) SMN1; SMN2RAB9ANPC1TP53
SCHEMBL12424048 0.66 MEN1 (0.43) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL557468 0.66 MAPT (0.45) SMN1; SMN2RAB9ANPC1NPSR1MAPT
SCHEMBL11651472 0.66 RAB9A (1.00) SMN1; SMN2RAB9ANPC1TP53NPSR1
SCHEMBL20557579 0.64 CNR1 (1.00) NPC1CNR1KMT2ALMNAMEN1
SCHEMBL30469274 0.64 CNR1 (1.00) NPC1CNR1KMT2ALMNAMEN1
SCHEMBL19626518 0.64 KDM4E (0.53) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5944093 0.63 PARP1 (0.69) SMN1; SMN2RAB9ANPC1CNR1MAPT

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
US-9012360-B2 Synergistic combinations of active ingredients BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-21 — — US disclosed
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