SCHEMBL5273620

SCHEMBL5273620

O=[N+]([O-])c1ccc(F)cc1NCCc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALPG P10696 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL18547216 0.90 MAPT (0.58) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL1748266 0.88 MAPT (0.51) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL5279041 0.85 MAPT (0.51) MAPTKMT2AMEN1PKMTDP1
SCHEMBL14993374 0.81 MAPT (0.50) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL16036332 0.81 MAPT (0.56) MAPTKMT2APKMTDP1HTR6
SCHEMBL5271583 0.79 KAT2B (0.49) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL5021178 0.78 MAPT (0.51) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL5273517 0.77 HTR6 (0.79) MAPTSMN1; SMN2HTR6CYP1A2CYP3A4
SCHEMBL18547062 0.77 MAPT (0.44) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL6432531 0.76 MAPT (0.50) MAPTKMT2AMEN1MAPK1LMNA

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-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed