SCHEMBL10678028

SCHEMBL10678028

CCN(CC)C(=O)CCCSc1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ POLB P06746 4/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL10677305 0.92 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10673654 0.92 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10678330 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10677249 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10675370 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10678708 0.84 ALDH1A1 (0.70) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10968325 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10675699 0.82 ALDH1A1 (0.66) ALDH1A1L3MBTL1POLBMEN1MAPT
SCHEMBL10681786 0.82 TSHR (0.56) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL10677159 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1POLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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
Send feedback