SCHEMBL11347391

SCHEMBL11347391

CSc1ccc(SCc2ncon2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ SLC6A4 P31645 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL11178221 0.86 L3MBTL1 (0.47) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL11352659 0.83 CA2 (0.36) L3MBTL1IDO1LMNASMN1; SMN2
SCHEMBL11351610 0.83 L3MBTL1 (0.45) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL11174291 0.82 NPC1 (0.42) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL11347085 0.82 L3MBTL1 (0.35) L3MBTL1IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL11351617 0.82 RAB9A (0.41) L3MBTL1IDO1LMNAALDH1A1NPC1
Dimethylamine SCHEMBL11347087 0.80 ALDH1A1 (0.42) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL11343239 0.76 ANPEP (0.39) IDO1LMNAALDH1A1MAPTTP53
SCHEMBL12300247 0.75 — —
SCHEMBL11346420 0.74 SMN1; SMN2 (0.42) L3MBTL1IDO1LMNAALDH1A1NPC1

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-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
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