SCHEMBL9959804

SCHEMBL9959804

NC(=O)c1cc(F)nc(Oc2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CTNNB1 P35222 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PLA2G10 O15496 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ CHEK2 O96017 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ MAP2 P11137 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL7512459 0.71 CTNNB1 (0.45) CTNNB1CYP1A2CYP2C9CYP2C19PLA2G10
SCHEMBL29193018 0.70 RAB9A (0.51) MEN1KMT2ACTNNB1PLA2G10F10
SCHEMBL16670658 0.69 BTK (0.53) MEN1KMT2AF10CHEK2BTK
Hydrochloric Acid SCHEMBL16670477 0.68 BTK (0.53) MEN1KMT2AF10CHEK2BTK
SCHEMBL21596337 0.68 PIN1 (0.55) MEN1KMT2ACTNNB1CYP1A2POLB
SCHEMBL16670718 0.68 BTK (0.53) MEN1KMT2ACTNNB1PLA2G10F10
SCHEMBL31214767 0.67 NCOA1 (0.59) POLBDHODHIKBKB
Diphenylether SCHEMBL23068684 0.67 CTNNB1 (0.74) KMT2ACTNNB1CHEK2PARP10SIRT2
SCHEMBL920637 0.66 PARP10 (0.56) KMT2ACTNNB1POLBCYP2C9CYP2C19
SCHEMBL742272 0.66 RAB9A (0.75) KMT2ACTNNB1POLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 — — EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 — — WO disclosed
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