SCHEMBL10903597

SCHEMBL10903597

C=CCNC(=S)N(C(C)CCC(=O)O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 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
SCHEMBL10906624 0.78 GAA (0.38) GAAALPLALDH1A1TSHRMAPT
SCHEMBL10906601 0.74 GAA (0.49) GAASMN1; SMN2L3MBTL1
SCHEMBL10906183 0.72 MAPT (0.40) GAAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10903598 0.71 TSHR (0.42) GAAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10906180 0.71 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10906588 0.70 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22769175 0.69 ALDH1A1 (0.50) GAAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL247201 0.67 CHRNB2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9555565 0.66 — —
SCHEMBL10906622 0.65 GAA (0.36) GAAALPLALDH1A1TSHRMAPT

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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