SCHEMBL10749872

SCHEMBL10749872

[c]1ncccc1CCNc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
AURKA O14965 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 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
SCHEMBL10748364 0.79 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1GAAHTR1AHTR1D
SCHEMBL10750236 0.77 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1GAAHTR1AHTR1D
SCHEMBL10749350 0.73 HTR1A (0.35) SMN1; SMN2L3MBTL1GAAHTR1AHTR1D
SCHEMBL378169 0.73 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL10750240 0.72 ADAM17 (0.48) SMN1; SMN2L3MBTL1HTR1AHTR1DNPC1
SCHEMBL23657165 0.71 CYP1A2 (0.58) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL10748367 0.71 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL5683250 0.71
SCHEMBL10752626 0.70 NPC1 (0.35) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL10753343 0.70 NPC1 (0.36) SMN1; SMN2L3MBTL1GAANPC1RAB9A

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