SCHEMBL10832770

SCHEMBL10832770

COc1cc(OC)cc(C(=O)N2CCNC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ TSHR P16473 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GPR6 P46095 1/20 0.43

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
SCHEMBL10832689 0.84 HSD17B10 (0.63) HSD17B10TSHRKDM4EALDH1A1GAA
SCHEMBL10832408 0.82 POLB (0.54) TDP1ALDH1A1GAAPOLB
SCHEMBL10832384 0.78 ALDH1A1 (0.56) TSHRALDH1A1GAASMN1; SMN2POLB
SCHEMBL16026516 0.74 ALDH1A1 (0.61) TSHRTDP1KDM4EALDH1A1GAA
SCHEMBL10832289 0.74 GPR6 (0.43) HSD17B10TSHRTDP1KDM4EALDH1A1
SCHEMBL10832293 0.74 GPR6 (0.43) HSD17B10TSHRTDP1KDM4EALDH1A1
SCHEMBL3390530 0.73 MAPT (0.55) HSD17B10TSHRKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL9621122 0.73 ALDH1A1 (0.60) TSHRTDP1KDM4EALDH1A1GAA
SCHEMBL11386026 0.72 PKM (0.51) ALDH1A1NPC1SMN1; SMN2
SCHEMBL11370675 0.72 HPGD (0.58) HSD17B10KDM4EALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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