SCHEMBL11754633

SCHEMBL11754633

Cc1cc(Cl)ccc1NCCC(N)=S

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.56
▸ NOX1 Q9Y5S8 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 3/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11757725 0.84 KMT2A (0.49) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL18622660 0.78 FERMT2 (0.50) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL11759204 0.78 GAA (0.33) GAASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL23182885 0.76 SMN1; SMN2 (0.47) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL11246752 0.76 SMN1; SMN2 (0.59) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL7655772 0.76 SMN1; SMN2 (0.48) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL7655919 0.76 FERMT2 (0.52) GAANOX1SMN1; SMN2MAPTHTT
SCHEMBL6929125 0.75 GAA (0.70) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL14000123 0.75 GAA (0.49) GAANOX1SMN1; SMN2MAPTALDH1A1
SCHEMBL11855565 0.72 NOX1 (0.65) GAANOX1SMN1; SMN2MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4031186-A ANTISECRETORY AGENTS ROHM AND HAAS COMPANY (US) 1977-06-21 — — US claimed
US-4031186-A ANTISECRETORY AGENTS ROHM AND HAAS COMPANY (US) 1977-06-21 — — US disclosed
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