SCHEMBL10947634

SCHEMBL10947634

COC(=O)c1cc2cc(Cc3ncc[nH]3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA3 P07451 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA5B Q9Y2D0 2/20 0.44
▸ CA5A P35218 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL10953347 0.91 KDM4E (0.40) KDM4EHSD17B10TAAR1ADORA3ADORA2A
SCHEMBL10947863 0.85 TP53 (0.44) LMNATP53KDM4EMEN1CYP3A4
SCHEMBL10672558 0.80 ALDH1A1 (0.49) KDM4ECYP3A4TAAR1HTTALDH1A1
SCHEMBL10952449 0.76 MEN1 (0.43) KDM4EHSD17B10MEN1KMT2ATAAR1
SCHEMBL6746541 0.76 ALDH1A1 (0.60) LMNACA12CA2CA9CA14
SCHEMBL28461381 0.75 KMT2A (0.71) LMNATP53CA12CA2CA3
SCHEMBL30362902 0.75 KMT2A (0.71) LMNATP53CA12CA2CA3
SCHEMBL7492523 0.75 PARP1 (0.51) KDM4ETAAR1HTTALDH1A1GAA
SCHEMBL11009540 0.75 ALDH1A1 (0.45) LMNAKDM4EHSD17B10CYP3A4TAAR1
SCHEMBL10953651 0.74 ABL1 (0.48) LMNAKDM4EMEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 — — US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 — — EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 — — US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 — — EP disclosed
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