SCHEMBL10516003

SCHEMBL10516003

Cc1c(-c2ccc(O)c(F)c2)oc2cccc(O)c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 4/20 0.59
▸ ALOX5 P09917 6/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ CYP3A4 P08684 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ MAPK1 P28482 5/20 0.49
▸ ALOX15 P16050 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ AR P10275 3/20 0.46
▸ RECQL P46063 4/20 0.44
▸ CYP2C9 P11712 4/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ ALOX12 P18054 3/20 0.44
▸ IP6K2 Q9UHH9 2/20 0.44

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
SCHEMBL10515595 0.88 CYP3A4 (0.54) POLHALOX5MEN1MAPTKMT2A
SCHEMBL10668666 0.84 POLH (0.59) POLHALOX5MEN1MAPTKMT2A
SCHEMBL10516813 0.84 POLH (0.59) POLHALOX5MEN1MAPTKMT2A
SCHEMBL10514913 0.84 POLH (0.59) POLHALOX5MEN1MAPTKMT2A
SCHEMBL10516409 0.82 ATP1A1 (0.46) POLHALOX5MEN1MAPTKMT2A
SCHEMBL9270632 0.80 CYP3A4 (0.74) POLHMEN1MAPTKMT2ACYP3A4
SCHEMBL10516809 0.79 CYP3A4 (0.53) POLHMEN1MAPTKMT2ACYP3A4
SCHEMBL10516343 0.79 CYP3A4 (0.66) POLHMEN1MAPTKMT2ACYP3A4
SCHEMBL10665463 0.78 CYP3A4 (0.55) POLHALOX5MEN1MAPTKMT2A
SCHEMBL10515926 0.77 CYP3A4 (0.54) POLHALOX5MEN1MAPTKMT2A

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-0183169-B1 HALOGEN-HYDROXY FLAVONE MERCK PATENT GmbH (DE) 1989-05-10 — — EP disclosed
US-4788215-A TREATMENT OF HYPERTHYROIDISM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-11-29 — — US disclosed
US-4713465-A Flavanone intermediates for halogenohydroxyflavones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-15 — — US disclosed
EP-0183169-A2 Halogen-hydroxy flavone MERCK PATENT GmbH (DE) 1986-06-04 — — EP disclosed
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