SCHEMBL4266232

SCHEMBL4266232

Clc1cccc(NC2=NCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
KMT2A Q03164 3/20 0.51
CFB P00751 1/20 0.49
EGFR P00533 6/20 0.48
TAAR1 Q96RJ0 2/20 0.43
FADS1 O60427 4/20 0.42
LCK P06239 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ERBB2 P04626 1/20 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
SCHEMBL1852745 0.79 CFB (0.49) CFBTAAR1HTR3A
SCHEMBL9558516 0.75 TAAR1 (0.45) HPGDKMT2ACFBTAAR1MEN1
Clidafidine SCHEMBL11607487 0.75 CFB (0.60) KMT2ACFBTAAR1MEN1LMNA
SCHEMBL29920861 0.72 ADRA2A (0.59) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL1686631 0.72 FADS1 (0.59) KMT2AEGFRFADS1MEN1NPC1
SCHEMBL29385329 0.72 CFB (0.53) HPGDKMT2ACFBTAAR1MEN1
SCHEMBL5786191 0.71 CFB (0.43) KMT2ACFBNPC1RAB9AMAPT
SCHEMBL2798318 0.70 ADRA2A (0.49) HPGDKMT2ACFBEGFRLCK
SCHEMBL9558789 0.70 CFB (0.48) HPGDCFBTAAR1GAAMAPT
SCHEMBL7629026 0.70 ADRA2A (0.50) CFBTAAR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156581-A1 Aminergic pharmaceutical compositions and methods BOARD OF TRUSTREES OF MICHIGAN STATE UNIVERSITY (US) 2009-06-18 US disclosed
EP-1874356-A2 AMINERGIC PHARMACEUTICAL COMPOSITIONS AND METHODS Board of Trustees of Michigan State University (US) 2008-01-09 EP disclosed
WO-2006113485-A2 AMINERGIC PHARMACEUTICAL COMPOSITIONS AND METHODS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-10-26 WO disclosed