SCHEMBL10675092

SCHEMBL10675092

COc1cccc(N(C)C(=O)CCCCSc2nnnn2-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ TSHR P16473 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ THRB P10828 2/20 0.50
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10677249 0.85 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL10672908 0.79 ALDH1A1 (0.69) ALDH1A1TSHRLMNAMAPTMAPK1
SCHEMBL10678330 0.78 ALDH1A1 (0.64) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL10676189 0.76 GAA (0.52) ALDH1A1MAPK1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL18797457 0.75 POLB (0.68) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL18797530 0.75 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL10678028 0.74 ALDH1A1 (0.61) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL1493440 0.74 TSHR (0.71) ALDH1A1TSHRLMNAMAPTMAPK1
SCHEMBL10677159 0.74 ALDH1A1 (0.64) ALDH1A1TSHRLMNAMAPTTHRB
SCHEMBL10675100 0.73 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPTMAPK1

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-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
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 — — EP 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
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 — — EP disclosed
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