Sugi Predict

Sugi Predict / Compounds / SCHEMBL10567430

SCHEMBL10567430

SCHEMBL10567430

CCC1CN(c2cccc(C(F)(F)F)c2)C(=Nc2cccc(C#N)c2)S1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 17/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL10584912 0.92 ELANE (0.41) ELANECTSKCYP2C9CYP3A4
SCHEMBL10566385 0.91 MAPK1 (0.45) MAPK1HSD17B10
SCHEMBL10386912 0.84 MAPK1 (0.39) MAPK1HSD17B10CYP2C19CYP2C9
SCHEMBL10582679 0.84 GRM2 (0.40) —
SCHEMBL10386940 0.83 HTT (0.39) MAPK1HSD17B10CYP2C19CYP2C9CYP3A4
SCHEMBL10388131 0.82 MAPK1 (0.36) MAPK1HSD17B10CYP2C19CYP2C9CYP3A4
SCHEMBL10582421 0.81 GRM2 (0.41) —
SCHEMBL10386441 0.80 PIM1 (0.36) MAPK1HSD17B10CYP2C19
SCHEMBL10386438 0.79 KIF11 (0.41) MAPK1HSD17B10
SCHEMBL10388159 0.79 ALDH1A1 (0.36) MAPK1HSD17B10CYP2C19

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
US-4877880-A REACTING AN N-3-SUBSTITUTED ALLYL ANILINE WITH AN ARYLISOTHIOCYANATE, REACTING THE RESULTANT THIOUREA WITH A (TRIFLUORO-)METHANESULFONIC ACID ICI AMERICAS INC. (US) 1989-10-31 — — US disclosed