SCHEMBL11476478

SCHEMBL11476478

[CH2]CC(=O)N=C1SCCN1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ INMT O95050 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTDSP1 Q9GZU7 2/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL11476475 1.00 GRM5 (0.43) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL11460318 0.86 GRM5 (0.45) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL11460317 0.86 GRM5 (0.45) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL11459141 0.81 GRM5 (0.45) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL11459142 0.81 GRM5 (0.45) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL12753020 0.78 GRM5 (0.47) GRM5ALDH1A1INMTMEN1LMNA
SCHEMBL11479756 0.78 GRM5 (0.42) GRM5ALDH1A1INMTKDM4EALOX15
SCHEMBL17813793 0.75 GRM5 (0.55) GRM5ALDH1A1INMTMAPK1KDM4E
SCHEMBL11466286 0.74 GRM5 (0.38) GRM5ALDH1A1MEN1LMNAKMT2A
SCHEMBL11459994 0.69 INMT (0.46) GRM5ALDH1A1INMTMEN1LMNA

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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