SCHEMBL13929520

SCHEMBL13929520

COc1cc(F)cc(OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ NFE2L2 Q16236 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ MAOB P27338 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13086666 0.87 TUBB1 (0.39) MEN1KMT2ARXFP1ACHETUBB1
SCHEMBL15840334 0.87 TUBB1 (0.43) MEN1KMT2ARXFP1ACHETUBB1
SCHEMBL25958954 0.84 NPC1 (0.38) MEN1KMT2AACHETUBB1CYP3A4
SCHEMBL15836402 0.80 CYP3A4 (0.41) MEN1KMT2AACHETUBB1CYP3A4
SCHEMBL15633236 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18472614 0.78 ACHE (0.59) MEN1KMT2AACHETUBB1CYP3A4
SCHEMBL9612314 0.78 ACHE (0.59) MEN1KMT2AACHETUBB1CYP3A4
SCHEMBL2611542 0.77 ACHE (0.65) MEN1KMT2ARXFP1ACHECYP3A4
SCHEMBL20766728 0.76 KDM4E (0.47) MEN1KMT2ARXFP1CYP3A4MAPT
SCHEMBL25863237 0.76 ALDH1A1 (0.46) KMT2ACYP3A4MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
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