SCHEMBL10681783

SCHEMBL10681783

CCCCNC(=O)CCCSc1nnnn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL11515264 0.83 ALDH1A1 (0.64) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL10675251 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10677226 0.82 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10POLBMEN1
SCHEMBL16116944 0.82 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10POLBMEN1
SCHEMBL10678708 0.81 ALDH1A1 (0.70) ALDH1A1L3MBTL1HSD17B10POLBMEN1
SCHEMBL10675268 0.81 HSD11B1 (0.53) ALDH1A1HSD17B10KMT2ASMN1; SMN2TP53
SCHEMBL16526226 0.81 ALDH1A1 (0.70) ALDH1A1L3MBTL1HSD17B10POLBMEN1
SCHEMBL10677159 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1HSD17B10POLBMEN1
SCHEMBL10674018 0.80 GAA (0.59) ALDH1A1L3MBTL1HSD17B10MEN1KMT2A
SCHEMBL10674370 0.80 HSD11B1 (0.52) ALDH1A1KMT2ASMN1; SMN2TP53

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-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 — — US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 — — US disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 — — US disclosed
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