SCHEMBL10065068

SCHEMBL10065068

CC(C)c1nn(-c2ccc(N=O)cc2)cc1C(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.39
LMNA P02545 1/20 0.39
HTR3A P46098 4/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL874498 0.86 ACKR3 (0.43) ACKR3LMNAHTR3ASMYD3
SCHEMBL874709 0.82 CA12 (0.43) ALDH1A1MAPT
SCHEMBL882752 0.71 NAMPT (0.46)
SCHEMBL4294367 0.65 ALDH1A1 (0.52) LMNAHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL717648 0.64 L3MBTL1 (0.58) ALDH1A1MAPT
SCHEMBL875174 0.63 NPC1 (0.40) LMNARAB9ANPC1HPGDALDH1A1
SCHEMBL15614408 0.62 NPC1 (0.55) LMNARAB9ANPC1HPGDALDH1A1
SCHEMBL104343 0.59 HRH3 (0.52) RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4296566 0.59 NPSR1 (0.61) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL12065982 0.59 L3MBTL1 (0.55) LMNARAB9ANPC1HPGDALDH1A1

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
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed