SCHEMBL14728836

SCHEMBL14728836

Clc1ccc(/C=N/c2ccc(Br)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
PLAU P00749 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
BLM P54132 2/20 0.40
MAOB P27338 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 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
SCHEMBL14728791 0.83 PKM (0.54) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728838 0.83 MAPT (0.54) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728840 0.83 MAOB (0.43) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728832 0.81 CHRM5 (0.49) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728822 0.80 APP (0.46) KMT2AMEN1MAPTALDH1A1PTGS2
SCHEMBL14728827 0.80 KMT2A (0.41) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL7267353 0.77 KMT2A (0.45) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL7267356 0.77 KMT2A (0.45) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728818 0.76 MEN1 (0.39) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL14728847 0.74 KDM4E (0.44) KMT2AMEN1ADRA2AADRA2BADRA2C

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