SCHEMBL11459994

SCHEMBL11459994

CN1CCSC1=NCN=C1SCCN1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ INMT O95050 4/20 0.46
▸ CTDSP1 Q9GZU7 2/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PABPC1 P11940 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL11459992 1.00 INMT (0.46) INMTCTDSP1APOBEC3AAPOBEC3GGRM5
SCHEMBL11470694 0.79 INMT (0.40) INMTCTDSP1APOBEC3AAPOBEC3GGRM5
SCHEMBL20219885 0.78 — —
SCHEMBL10702446 0.76 — —
Hydrochloric Acid SCHEMBL10706540 0.74 — —
SCHEMBL11458392 0.73 INMT (0.35) INMTGRM5ALDH1A1MEN1NPC1
SCHEMBL11460318 0.71 GRM5 (0.45) INMTCTDSP1APOBEC3AAPOBEC3GGRM5
SCHEMBL11460317 0.71 GRM5 (0.45) INMTCTDSP1APOBEC3AAPOBEC3GGRM5
SCHEMBL3222391 0.71 — —
Hydrochloric Acid SCHEMBL11466308 0.71 INMT (0.41) INMTGRM5PABPC1TSHR

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-4181661-A SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS MERCK & CO., INC. (US) 1980-01-01 — — US disclosed
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