SCHEMBL10967641

SCHEMBL10967641

Cn1nnnc1CCCC(=S)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MGLL Q99685 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10677819 0.80 ALDH1A1 (0.43) GAAALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL27631985 0.74 ALDH1A1 (0.52) GAAALDH1A1KMT2ALMNAMAPT
SCHEMBL10677212 0.74 NPC1 (0.34) GAANPC1ALDH1A1KMT2ACYP3A4
SCHEMBL10672830 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10967638 0.72 BCL9 (0.51) BCL9CTNNB1GAANPC1ALDH1A1
SCHEMBL10682274 0.71 NPC1 (0.35) BCL9CTNNB1GAANPC1ALDH1A1
SCHEMBL10678819 0.71 ALDH1A1 (0.55) GAANPC1ALDH1A1KMT2ALMNA
SCHEMBL10673376 0.70 DAGLA (0.33) ALDH1A1
SCHEMBL10676665 0.70 MEN1 (0.34) ALDH1A1KMT2AMAPK1
SCHEMBL7823769 0.70 POLB (0.49) NPC1ALDH1A1KMT2ATSHRKCNJ1

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 2 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 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