SCHEMBL9272000

SCHEMBL9272000

NCc1noc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
THRB P10828 1/20 0.55
S1PR1 P21453 6/20 0.52
SPHK2 Q9NRA0 2/20 0.48
CASP3 P42574 3/20 0.47
S1PR3 Q99500 2/20 0.46
NOTUM Q6P988 2/20 0.45
CHUK O15111 1/20 0.44
TXNRD1 Q16881 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL282099 0.85 LMNA (0.54) LMNATHRBS1PR1SPHK2CASP3
SCHEMBL10081939 0.85 LMNA (0.57) LMNATHRBS1PR1SPHK2CASP3
SCHEMBL13020876 0.83 LMNA (0.55) LMNATHRBS1PR1SPHK2CASP3
SCHEMBL13064231 0.83 ALDH1A1 (0.66) LMNATHRBS1PR1SPHK2CASP3
SCHEMBL30646380 0.79 L3MBTL1 (0.39) LMNATHRBS1PR1SPHK2CASP3
SCHEMBL19810876 0.77 NOTUM (0.72) LMNACASP3NOTUMNPC1MAPT
SCHEMBL30646382 0.77 MPL (0.46) S1PR1CHUKTXNRD1NOX4NPC1
SCHEMBL30646388 0.77 PLAT (0.38) LMNATHRBS1PR1S1PR3CHUK
SCHEMBL21776935 0.77 NOTUM (0.70) LMNANOTUMNPC1MAPTHPGD
SCHEMBL30646377 0.76 L3MBTL1 (0.43) S1PR1CASP3S1PR3CHUKTXNRD1

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