SCHEMBL9037002

SCHEMBL9037002

CC(C)(C#N)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
CASR P41180 11/20 0.51
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
MC5R P33032 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL11684325 0.85 THRB (0.54) THRBRECQLCASRTNFNOD1
SCHEMBL11848954 0.83 CASR (0.49) THRBRECQLCASRTNFNOD1
SCHEMBL28160864 0.83 CASR (0.51) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL108180 0.80 CASR (0.58) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL227210 0.80 CASR (0.58) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL11512817 0.79 RECQL (0.51) THRBRECQLCASRALDH1A1LMNA
SCHEMBL27286220 0.78 CASR (0.57) CASRTNFNOD1ALDH1A1L3MBTL1
SCHEMBL14859716 0.78 CASR (0.50) THRBRECQLCASRALDH1A1LMNA
SCHEMBL7544923 0.77 CASR (0.64) CASRTNFNOD1ALDH1A1LMNA
SCHEMBL9364814 0.76 CASR (0.46) THRBRECQLCASRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 WO disclosed
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 EP disclosed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 WO disclosed
US-4146712-A PROCESS FOR THE MANUFACTURE OF COUMARIN DYES CIBA-GEIGY CORPORATION (US) 1979-03-27 US disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed