SCHEMBL11065291

SCHEMBL11065291

CCOC(=O)CSc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TBXAS1 P24557 12/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RXFP1 Q9HBX9 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PRNP P04156 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11070290 0.81 TBXAS1 (0.62) ALDH1A1TBXAS1
SCHEMBL11062768 0.81 TBXAS1 (0.66) ALDH1A1TBXAS1LMNAKDM4E
Hydrochloric Acid SCHEMBL11065642 0.80 TBXAS1 (0.63) ALDH1A1TBXAS1
SCHEMBL11058711 0.79 CYP3A4 (0.55) ALDH1A1TBXAS1LMNACYP1A2CYP3A4
SCHEMBL11066918 0.79 TSHR (0.65) ALDH1A1TBXAS1LMNAPOLB
SCHEMBL11062344 0.78 LMNA (0.49) ALDH1A1LMNAPOLBL3MBTL1CYP1A2
SCHEMBL11066572 0.78 TBXAS1 (0.46) ALDH1A1TBXAS1
SCHEMBL11059401 0.77 TBXAS1 (0.71) ALDH1A1TBXAS1LMNACYP3A4
SCHEMBL11067529 0.77 TBXAS1 (0.53) ALDH1A1TBXAS1L3MBTL1
SCHEMBL10663986 0.77 TBXAS1 (0.53) ALDH1A1TBXAS1

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-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US claimed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed