SCHEMBL11062783

SCHEMBL11062783

CCOC(=O)c1ccc(/C=C\c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
SNCA P37840 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
MAPK1 P28482 2/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
KEAP1 Q14145 1/20 0.48

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
SCHEMBL11071917 1.00 KMT2A (0.52) KMT2AMAPTALDH1A1GAAPOLB
SCHEMBL11062788 1.00 KMT2A (0.52) KMT2AMAPTALDH1A1GAAPOLB
SCHEMBL8996089 0.84 ALDH1A1 (0.61) KMT2AMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL8996085 0.84 ALDH1A1 (0.61) KMT2AMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL8996130 0.84 ALDH1A1 (0.61) KMT2AMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL8160762 0.84 PPARG (0.66) KMT2AMAPTALDH1A1GAACYP1A2
SCHEMBL9953407 0.84 PPARG (0.66) KMT2AMAPTALDH1A1GAACYP1A2
SCHEMBL9717146 0.83 CA1 (0.66) KMT2AMAPTALDH1A1SNCACYP1A2
SCHEMBL9717141 0.83 CA1 (0.66) KMT2AMAPTALDH1A1SNCACYP1A2
SCHEMBL10618582 0.83 CA1 (0.66) KMT2AMAPTALDH1A1SNCACYP1A2

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
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