SCHEMBL9831944

SCHEMBL9831944

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.41
GLS O94925 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
USP2 O75604 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
GAPDH P04406 1/20 0.34
ALOX15 P16050 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL9834514 0.80 HRH1 (0.41) ALDH1A1MAPT
SCHEMBL9833192 0.79 ALDH1A1 (0.37) POLBALDH1A1GLSUSP2HDAC1
SCHEMBL9832722 0.78 MPO (0.39) L3MBTL1ALDH1A1GLSTAAR1MAPT
SCHEMBL9832047 0.77 HRH1 (0.45) SMN1; SMN2GLSHDAC1
SCHEMBL9832110 0.76 TDP1 (0.41) L3MBTL1GLSTDP1ALOX15
SCHEMBL9833469 0.75 HDAC1 (0.46) POLBNPC1GLSTAAR1RAB9A
SCHEMBL9837576 0.74 ALOX5 (0.46) POLBALOX15
SCHEMBL9833331 0.73 HDAC1 (0.47) TAAR1HDAC1HDAC8
SCHEMBL30884578 0.72 POLB (0.70) SMN1; SMN2POLBTSHRL3MBTL1ALDH1A1
SCHEMBL8794155 0.71 SMN1; SMN2 (0.42) SMN1; SMN2POLBTSHRL3MBTL1ALDH1A1

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
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed