SCHEMBL31751996

SCHEMBL31751996

CN(C)c1csc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
LATS1 O95835 3/20 0.36
LATS2 Q9NRM7 3/20 0.36
CHUK O15111 1/20 0.35
CHRM5 P08912 1/20 0.34
CHKA P35790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.33
HTR6 P50406 3/20 0.32
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8440409 0.83 CYP2A6 (0.43) CYP2A6LATS1LATS2CHRM5CHKA
SCHEMBL30940059 0.76 CYP2A6 (0.53) CYP2A6CHUKSMN1; SMN2MAPTALDH1A1
SCHEMBL3962397 0.76 CYP2A6 (0.53) CYP2A6CHUKSMN1; SMN2MAPTALDH1A1
SCHEMBL8440389 0.76 CYP2A6 (0.40) CYP2A6LATS1LATS2CHRM5CHKA
SCHEMBL14438020 0.75 CYP2A6 (0.51) CYP2A6SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8438931 0.74 CYP2A6 (0.41) CYP2A6LATS1LATS2HTR6
SCHEMBL8442574 0.74 CYP2A6 (0.41) CYP2A6CHRM5CHKASMN1; SMN2ALDH1A1
SCHEMBL9312651 0.72 MAPT (0.48) CYP2A6SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL8440769 0.72 LATS1 (0.38) CYP2A6LATS1LATS2MAPTHTR6
SCHEMBL25030031 0.71 HTR6 (0.52) CYP2A6HTR6

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-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed