SCHEMBL5158409

SCHEMBL5158409

OCCNc1cccc(NCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
EGFR P00533 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
CASP6 P55212 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH3 Q9ULD8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL29602312 0.87 CYP3A4 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1431624 0.87 MEN1 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL453961 0.87 CYP3A4 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3050579 0.85 EGFR (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1438432 0.85 MAPT (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1004459 0.85 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2470288 0.85 KDR (0.52) MAPTHTTRECQLEGFRALDH1A1
Hydrochloric Acid SCHEMBL11216788 0.85 TAAR1 (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL94041 0.85 FCGR3B (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30468755 0.85 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-1748755-A1 M-PHENYLENE DIAMINE COUPLER COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-02-07 EP disclosed
WO-2005117817-A1 M-PHENYLENE DIAMINE COUPLER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-15 WO disclosed