SCHEMBL16693235

SCHEMBL16693235

C=CC=Cc1ccc2c(C(F)(F)F)csc2c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
CYP17A1 P05093 1/20 0.32

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
SCHEMBL16693236 0.80 KIF11 (0.41) CYP17A1
SCHEMBL16693190 0.76 KDM4E (0.37) CYP17A1
SCHEMBL31335389 0.71 NOTUM (0.37) APP
SCHEMBL14093011 0.71 KIF11 (0.45) CYP17A1
SCHEMBL18791161 0.70 LMNA (0.38) CYP17A1
SCHEMBL3407569 0.70 CYP2A6 (0.39) CYP17A1
SCHEMBL14117289 0.67 MTNR1A (0.35) CYP17A1
SCHEMBL13660795 0.67 MGLL (0.40) CYP17A1
SCHEMBL9103428 0.65 CYP2A6 (0.45)
SCHEMBL28913499 0.65 CYP1A2 (0.52)

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-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed