SCHEMBL8664551

SCHEMBL8664551

Cc1cc(C)nc(NC(=O)c2cc(=O)c3ccccc3o2)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
MAPT P10636 4/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
POLB P06746 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 1/20 0.65
CSNK2A2 P19784 7/20 0.64
CSNK2B P67870 7/20 0.64
CSNK2A1 P68400 7/20 0.64
CSNK2A3 Q8NEV1 7/20 0.64
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL4970562 0.75 MAOB (0.82) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8645195 0.75 LMNA (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5598444 0.73 NPC1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL28642133 0.73 POLB (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29923723 0.73 POLB (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3362301 0.72 CHRNB2 (0.64) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4516344 0.72 MAPT (0.52) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL5598057 0.72 ALDH1A1 (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4971130 0.72 MAOB (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29923932 0.72 KMT2A (0.81) NPC1RAB9AMAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843947-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-12-01 US disclosed
US-5712294-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed
EP-0684241-B1 N-pyridyl carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-08-27 EP disclosed
EP-0684241-A1 N-pyridyl carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-11-29 EP disclosed