SCHEMBL10972734

SCHEMBL10972734

NCCCSc1nnnn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.63
TSHR P16473 5/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
NFKB1 P19838 2/20 0.62
RAB9A P51151 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 6/20 0.61
HPGD P15428 4/20 0.61
POLB P06746 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 1/20 0.59
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 3/20 0.58
THRB P10828 1/20 0.57

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
SCHEMBL10970208 0.91 ALDH1A1 (0.71) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL10973042 0.91 ALDH1A1 (0.71) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL7301329 0.85 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL7303919 0.85 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL16116944 0.85 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL16526226 0.84 ALDH1A1 (0.70) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL24305911 0.82 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL1978183 0.82 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL17761121 0.82 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1
SCHEMBL10969871 0.82 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1SMN1; SMN2NPC1

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
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed