SCHEMBL9832047

SCHEMBL9832047

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
CYP1A2 P05177 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
NAAA Q02083 2/20 0.40
HDAC1 Q13547 3/20 0.37
GLS O94925 1/20 0.37
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HRH2 P25021 1/20 0.34
PARP10 Q53GL7 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
SCHEMBL9832722 0.80 MPO (0.39) HDAC1GLSPARP10
SCHEMBL9834514 0.80 HRH1 (0.41) HRH1NAAA
SCHEMBL9658041 0.78 SMN1; SMN2 (0.61) HRH1CYP1A2SMN1; SMN2CYP2C19NAAA
SCHEMBL9833192 0.77 ALDH1A1 (0.37) HDAC1GLSHDAC6
SCHEMBL9832110 0.76 TDP1 (0.41) NAAAGLS
SCHEMBL9832892 0.76 NAAA (0.37) NAAAGLS
SCHEMBL9833469 0.75 HDAC1 (0.46) NAAAHDAC1GLSHDAC6
SCHEMBL7378329 0.74 HRH1 (0.64) HRH1CYP1A2SMN1; SMN2CYP2C19NAAA
SCHEMBL18248625 0.74 HRH1 (0.64) HRH1CYP1A2SMN1; SMN2CYP2C19NAAA
SCHEMBL20378876 0.73 SMN1; SMN2 (0.55) HRH1CYP1A2SMN1; SMN2CYP2C19NAAA

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