SCHEMBL9261978

SCHEMBL9261978

O=C1c2ccccc2C(=O)N1Cc1noc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.46
TXNRD1 Q16881 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
ADORA2B P29275 5/20 0.42
ADORA3 P0DMS8 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
ADORA1 P30542 1/20 0.42
S1PR1 P21453 2/20 0.41
CHRM5 P08912 1/20 0.41
HPGD P15428 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL4415503 0.74 CHRM5 (0.65) CHRM5ADRA1DADRA1AADRA1B
SCHEMBL9272000 0.74 LMNA (0.55) CHUKTXNRD1NOX4MAPTSMN1; SMN2
SCHEMBL18935909 0.74 MEN1 (0.42) POLBMAPTSMN1; SMN2THRBCHRM5
SCHEMBL10081939 0.73 LMNA (0.57) CHUKTXNRD1NOX4MAPTSMN1; SMN2
SCHEMBL282099 0.73 LMNA (0.54) CHUKTXNRD1NOX4MAPTSMN1; SMN2
SCHEMBL2357444 0.73 AR (0.40) LMNATHRBADORA2BADORA3SPHK2
SCHEMBL13463603 0.72 KCNH2 (0.59) CHUKTXNRD1NOX4POLBSMN1; SMN2
SCHEMBL13064231 0.71 ALDH1A1 (0.66) MAPTSMN1; SMN2LMNATHRBADORA2B
SCHEMBL13020876 0.71 LMNA (0.55) CHUKTXNRD1NOX4POLBMAPT
SCHEMBL29892798 0.71 TOP1 (0.47) POLBCHRM5ADRA1DADRA1AADRA1B

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
WO-1995007278-A1 FUNGICIDAL, MITICIDAL AND ARTHROPODICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-16 WO disclosed