SCHEMBL31323902

SCHEMBL31323902

Fc1cccc(F)c1C1=NC(c2ccc(CSSCc3ccc(Cl)cc3)cc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS3 P29474 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL31323960 0.90 ALDH1A1 (0.46) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323942 0.89 ALDH1A1 (0.41) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323935 0.87 ALDH1A1 (0.41) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31324003 0.86 ALDH1A1 (0.39) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323916 0.86 ALDH1A1 (0.39) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323933 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHTTMAPT
SCHEMBL31323900 0.85 ALDH1A1 (0.43) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323968 0.85 ALDH1A1 (0.38) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323895 0.85 ALDH1A1 (0.38) TAAR1ALDH1A1LMNAHTTMAPT
SCHEMBL31323886 0.84 ALDH1A1 (0.39) TAAR1ALDH1A1LMNAHTTMAPT

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
CN-119285568-A Preparation and application of isoxazoline disulfide derivative 安徽农业大学 2025-01-10 CN disclosed