SCHEMBL9581668

SCHEMBL9581668

O=C(CS)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ CNR1 P21554 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ USP2 O75604 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KCNH2 Q12809 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL12282111 0.82 MEN1 (0.76) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL10851211 0.82 MEN1 (0.76) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL2241959 0.82 ALDH1A1 (0.67) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL4072272 0.81 MEN1 (0.84) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL14516232 0.81 MEN1 (0.66) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL28811687 0.79 ALDH1A1 (0.63) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL1193355 0.79 ALDH1A1 (0.63) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL11543936 0.79 QDPR (0.66) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL4775621 0.77 MEN1 (0.61) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL13936597 0.77 MEN1 (0.73) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 — — US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 — — US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 — — EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 — — EP disclosed
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