SCHEMBL7435402

SCHEMBL7435402

CNCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.52
MYC P01106 1/20 0.49
WDR5 P61964 1/20 0.49
CYP3A4 P08684 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
TSHR P16473 3/20 0.46
PPARG P37231 2/20 0.46
MAPK1 P28482 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL10061705 0.85 ESR2 (0.54) ESR2MYCWDR5CYP3A4KDM4E
SCHEMBL6606339 0.83 ESR2 (0.49) ESR2MYCWDR5CYP3A4KDM4E
SCHEMBL360601 0.82 ESR2 (0.59) ESR2MYCWDR5CYP3A4CYP1A2
SCHEMBL20183521 0.82 HSD17B10 (0.53) ESR2MYCWDR5CYP3A4KDM4E
SCHEMBL6957086 0.82 ESR2 (0.47) ESR2MYCWDR5CYP3A4KDM4E
SCHEMBL6606543 0.81 HRH4 (0.54) ESR2MYCWDR5CYP3A4HSD17B10
SCHEMBL1713 0.80 ESR2 (0.67) ESR2MYCWDR5TSHRPPARG
SCHEMBL23542145 0.80 TAAR1 (0.53) ESR2MYCWDR5CYP3A4HSD17B10
SCHEMBL6696407 0.80 HSD17B10 (0.50) ESR2MYCWDR5CYP3A4KDM4E
SCHEMBL2545 0.79 L3MBTL1 (0.47) ESR2MYCWDR5CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed