SCHEMBL2669747

SCHEMBL2669747

CC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1ccc(F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
FGFR1 P11362 6/20 0.39
ACACB O00763 3/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1616138 0.83 NPC1 (0.48) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL2669813 0.83 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2SIK1
SCHEMBL2669578 0.81 THRB (0.44) THRBHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13002375 0.80 HPGD (0.54) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL2190869 0.79 FGFR1 (0.63) THRBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1616776 0.78 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2FGFR1
SCHEMBL1617120 0.78 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2FGFR1
SCHEMBL1616093 0.78 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2FGFR1
SCHEMBL2334090 0.76 FGFR1 (0.65) THRBHPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2669850 0.76 LCK (0.41) NPC1RAB9AHPGDFGFR1ACACB

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-2010055125-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed