SCHEMBL5037481

SCHEMBL5037481

Nc1cc(N)nc(C=Cc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC6 Q9UBN7 1/20 0.46
ADORA1 P30542 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
RELA Q04206 1/20 0.45
PDE5A O76074 1/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL5037478 1.00 GRM4 (0.53) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL27605612 0.87 GRM4 (0.46) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL28798157 0.82 MEN1 (0.54) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL28773675 0.81 HRH4 (0.58) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL31484371 0.81 HRH4 (0.58) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL29432563 0.79 NPC1 (0.55) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL10123059 0.75 GRM4 (0.56) GRM4KDM4EALDH1A1HPGDMEN1
SCHEMBL10123058 0.75 TTR (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL596715 0.75 ALDH1A1 (0.46) GRM4KDM4EALDH1A1CYP19A1MAOA
SCHEMBL596716 0.75 ALDH1A1 (0.46) GRM4KDM4EALDH1A1CYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928456-A2 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2008-06-11 EP disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 WO disclosed