SCHEMBL10516098

SCHEMBL10516098

O=c1c(O)c(-c2ccccc2)oc2cc(Br)c(Cl)c(O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ CYP3A4 P08684 6/20 0.59
▸ ABCB1 P08183 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ BCHE P06276 3/20 0.59
▸ ACHE P22303 3/20 0.59
▸ CA12 O43570 3/20 0.59
▸ CYP1B1 Q16678 3/20 0.59
▸ TRPC5 Q9UL62 3/20 0.59
▸ CYP1A1 P04798 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ PPARG P37231 2/20 0.59
▸ CA7 P43166 2/20 0.59
▸ XDH P47989 2/20 0.59
▸ FTO Q9C0B1 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59

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
SCHEMBL10516282 0.86 MEN1 (0.62) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL10514558 0.86 MEN1 (0.62) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL10515447 0.84 MEN1 (0.59) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL10673326 0.84 ACHE (0.64) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL10670981 0.80 MEN1 (0.60) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL157972 0.79 MAPK8 (0.74) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL1423156 0.79 CYP3A4 (0.72) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL10516225 0.78 MEN1 (0.59) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL471861 0.75 MEN1 (0.71) MEN1KMT2ACYP3A4ABCB1MAPT
SCHEMBL30932996 0.75 ABCB1 (0.67) MEN1KMT2ACYP3A4ABCB1MAPT

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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