SCHEMBL11367172

SCHEMBL11367172

CN(C)Cc1ccc(CCSCCN2C(=O)c3ccccc3C2=O)o1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.44
BCHE P06276 7/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 2/20 0.42

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
SCHEMBL11371968 0.89 ACHE (0.60) ACHEBCHE
SCHEMBL11362161 0.84 TDP1 (0.52) ACHEBCHEMAOB
SCHEMBL11370553 0.83 TDP1 (0.55) ACHEBCHEMAOB
SCHEMBL11372202 0.81 ACHE (0.66) ACHEBCHE
SCHEMBL11013833 0.81 ACHE (0.62) ACHEBCHE
SCHEMBL10179103 0.78 ALDH1A1 (0.51) ACHEBCHESMN1; SMN2MAOB
SCHEMBL11364365 0.75 ALDH1A1 (0.52) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL11209483 0.72 NPC1 (0.48) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL10729240 0.71 ACHE (0.49) ACHEBCHE
SCHEMBL11071100 0.70 NPC1 (0.45) NPC1CASP3RAB9ASMN1; SMN2SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4279819-A GASTROINTESTINAL DISORDERS ALLEN & HANBURYS LTD. (GB) 1981-07-21 US disclosed
US-4255440-A ANTIALLERGENS, ANTIULCER AGENTS ALLEN & HANBURYS LIMITED (GB) 1981-03-10 US disclosed
US-4203909-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-05-20 US disclosed
US-4169855-A ANTIHISTAMINES, ANTISECRETORY AGENTS Allen & Hansbury, Limited (GB) 1979-10-02 US disclosed
US-4128658-A HISTAMINE ANTAGONISTS ALLEN & HANBURYS LIMITED (GB) 1978-12-05 US disclosed