SCHEMBL13460576

SCHEMBL13460576

COc1cc(C(O)(CN=[N+]=[N-])c2ccc(Cl)c(OC)c2)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ACACB O00763 1/20 0.32

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
SCHEMBL15382918 0.76 RIPK2 (0.35) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL13539409 0.76 TAAR1 (0.40) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL13460572 0.74 NPSR1 (0.43) L3MBTL1MEN1KMT2ANPSR1POLB
SCHEMBL21796409 0.72 SMN1; SMN2 (0.40) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL179444 0.68 CYP2C19 (0.44) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL11844851 0.68 ALDH1A1 (0.41) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL14069077 0.68 NPSR1 (0.38) L3MBTL1MEN1KMT2ANPSR1POLB
SCHEMBL21501284 0.67 MAPT (0.39) MAPTCYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL28311749 0.67 CYP2C9 (0.41) CYP2C9CYP2C19MEN1KMT2ANPSR1
SCHEMBL13347572 0.67 MAPT (0.50) MAPTCYP2C9CYP2C19L3MBTL1MEN1

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
WO-2010023946-A1 NOVEL URACIL COMPOUND HAVING NITROGENATED HETEROCYCLIC RING OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-03-04 — — WO disclosed
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