SCHEMBL14728802

SCHEMBL14728802

Fc1cccc(/C=N/c2ccc(Br)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
BLM P54132 3/20 0.49
PKM P14618 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
CHRM5 P08912 1/20 0.49
GRM5 P41594 1/20 0.49
PMP22 Q01453 1/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
NFE2L2 Q16236 3/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 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
SCHEMBL14728832 0.82 CHRM5 (0.49) RAB9ANPC1BLMPKMCYP1A2
SCHEMBL14728838 0.81 MAPT (0.54) RAB9ANPC1BLMPKMMEN1
SCHEMBL14728827 0.81 KMT2A (0.41) RAB9ANPC1BLMPKMMAPK1
SCHEMBL14728840 0.75 MAOB (0.43) RAB9ANPC1BLMPKMMEN1
SCHEMBL11415462 0.73 RAB9A (0.51) RAB9ANPC1BLMPKMCYP1A2
SCHEMBL14728816 0.73 KDM4E (0.44) RAB9ABLMPKMMEN1KMT2A
SCHEMBL11415466 0.73 RAB9A (0.51) RAB9ANPC1BLMPKMCYP1A2
SCHEMBL14728836 0.72 KMT2A (0.44) RAB9ANPC1BLMPKMMEN1
SCHEMBL14728791 0.72 PKM (0.54) RAB9ANPC1BLMPKMMEN1
SCHEMBL14728822 0.69 APP (0.46) RAB9ANPC1PKMMEN1KMT2A

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-2013026357-A1 PREPARATION METHOD OF IMIDAZOLE DERIVATIVES 北京欧博方医药科技有限公司 (CN) 2013-02-28 WO disclosed