SCHEMBL10748367

SCHEMBL10748367

[c]1ccc(CCNc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR2 O15552 1/20 0.35

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
SCHEMBL378169 0.83 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KDM4EGAAHTT
SCHEMBL19981514 0.83 MAPT (0.50) SMN1; SMN2L3MBTL1KDM4EGAAHTT
SCHEMBL10755827 0.80 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1KDM4EGAAALDH1A1
SCHEMBL9051688 0.77 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KDM4EGAAHTT
SCHEMBL10753773 0.77 MEN1 (0.41) SMN1; SMN2L3MBTL1KDM4EGAAMAPT
SCHEMBL27737313 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KDM4EMAPTNPC1
SCHEMBL29886718 0.74 HPGD (0.58) SMN1; SMN2L3MBTL1KDM4E
SCHEMBL10750236 0.74 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1KDM4EGAANPC1
SCHEMBL10748364 0.74 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KDM4EGAAHTT
SCHEMBL5235651 0.73 FDPS (0.35) SMN1; SMN2L3MBTL1ALDH1A1

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-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed