SCHEMBL10852177

SCHEMBL10852177

COC(=O)c1ccc2oc(Cc3ncc[nH]3)c(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TBXAS1 P24557 1/20 0.41
▸ DYRK1A Q13627 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL10857171 0.77 TBXAS1 (0.44) KDM4EALDH1A1TBXAS1NPC1RAB9A
SCHEMBL10851837 0.76 TBXAS1 (0.44) KDM4EALDH1A1TBXAS1HTTSMN1; SMN2
SCHEMBL6746541 0.76 ALDH1A1 (0.60) KDM4EALDH1A1HTTGAASMN1; SMN2
SCHEMBL10855599 0.75 TAAR1 (0.42) KDM4EALDH1A1TBXAS1GAASMN1; SMN2
SCHEMBL10672558 0.75 ALDH1A1 (0.49) KDM4EALDH1A1DYRK1AHTTGAA
SCHEMBL10861351 0.74 TBXAS1 (0.54) KDM4EALDH1A1TBXAS1HTTGAA
SCHEMBL10851846 0.74 TBXAS1 (0.54) KDM4EALDH1A1TBXAS1GAASMN1; SMN2
SCHEMBL10947634 0.72 LMNA (0.44) KDM4EALDH1A1TBXAS1HTTGAA
SCHEMBL10853507 0.72 ALDH1A1 (0.43) KDM4EALDH1A1TBXAS1DYRK1AGPR84
SCHEMBL10852164 0.72 TBXAS1 (0.78) KDM4ETBXAS1HTTGAANPC1

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
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 — — EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 — — US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 — — US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 — — EP disclosed
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