SCHEMBL2018112

SCHEMBL2018112

NCCc1ccc(Br)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
TAAR1 Q96RJ0 6/20 0.46
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
CHEK1 O14757 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.36
GAPDH P04406 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL29429850 0.89 ALDH1A1 (0.39) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL17047625 0.84 CHEK1 (0.37) HTR2ATRPM8TAAR1CHEK1
SCHEMBL31413498 0.83 HTR2A (0.49) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL2015922 0.83 HTR2A (0.49) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL30528616 0.82 CYP2A6 (0.46) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL3923194 0.82 CYP2A6 (0.46) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL2540684 0.81 KDM4E (0.38) HTR2ATRPM8ALDH1A1MEN1KMT2A
SCHEMBL4437659 0.81 EDNRB (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL31413396 0.81 HTR2A (0.47) HTR2ATRPM8TAAR1ALDH1A1MEN1
SCHEMBL1048211 0.79 CASP1 (0.42) TAAR1MEN1KMT2AKDM4EMAPT

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed