SCHEMBL9687005

SCHEMBL9687005

COc1cccc(N(C)C)c1C(=O)NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.56
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 4/20 0.50
TP53 P04637 1/20 0.50
MCHR1 Q99705 1/20 0.49
BRAF P15056 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10870450 0.89 KDM4E (0.48) RXFP1MAPTNPC1TP53MCHR1
SCHEMBL9686123 0.86 RXFP1 (0.59) RXFP1MAPTSMN1; SMN2LMNANPC1
SCHEMBL9702721 0.80 NPC1 (0.55) MAPTSMN1; SMN2NPC1TP53MEN1
SCHEMBL9701811 0.79 MEN1 (0.50) MAPTSMN1; SMN2LMNANPC1HTT
SCHEMBL7607258 0.75 MAPT (0.62) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL30499684 0.75 MAPT (0.62) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL7603216 0.74 KDR (0.66) RXFP1MAPTSMN1; SMN2LMNAHTT
SCHEMBL30499683 0.74 KDR (0.66) RXFP1MAPTSMN1; SMN2LMNAHTT
SCHEMBL10869152 0.74 KDM4E (0.58) RXFP1MAPTNPC1TP53BRAF
SCHEMBL15529040 0.74 RXFP1 (0.69) RXFP1MAPTCYP1A2CYP3A4CYP2C19

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-5166180-A Administering diphenyl substituted (thio)carbonyl(thio)urea derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-24 US disclosed
EP-0324521-A2 Method of treating haematologic diseases and pharmaceutical compositions to be used therefor DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-07-19 EP disclosed