SCHEMBL10969871

SCHEMBL10969871

Cn1nnnc1SCCCSc1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
LMNA P02545 5/20 0.62
TSHR P16473 4/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 3/20 0.58
HSD17B10 Q99714 1/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
THRB P10828 2/20 0.55

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
SCHEMBL10973042 0.91 ALDH1A1 (0.71) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL10970208 0.88 ALDH1A1 (0.71) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL16116944 0.85 ALDH1A1 (0.72) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL7303919 0.85 ALDH1A1 (0.66) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL16526226 0.84 ALDH1A1 (0.70) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL10972481 0.84 ALDH1A1 (0.52) ALDH1A1LMNAPOLBSMN1; SMN2TP53
SCHEMBL24305911 0.83 ALDH1A1 (0.68) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL17761121 0.83 ALDH1A1 (0.68) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL7301329 0.82 ALDH1A1 (0.66) ALDH1A1LMNATSHRHPGDPOLB
SCHEMBL10972734 0.82 ALDH1A1 (0.63) ALDH1A1LMNATSHRHPGDPOLB

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