SCHEMBL6258192

SCHEMBL6258192

COc1ccc(CNc2ccc(N)cc2CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FFAR1 O14842 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CD38 P28907 1/20 0.40

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
Hydrochloric Acid SCHEMBL2988970 0.99 NCF1 (0.44) NCF1KDM4EASPHRIOX2KDM8
SCHEMBL6141854 0.87 MITF (0.44) KDM4EMAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL2993538 0.86 MITF (0.43) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL7563743 0.83 ALDH1A1 (0.44) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL2988960 0.82 NOS1 (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL6141834 0.80 MITF (0.35) ABCB1CYP19A1
Hydrochloric Acid SCHEMBL2996463 0.79 MITF (0.34) CYP19A1
SCHEMBL5522100 0.79 MAPT (0.51) NCF1KDM4EMAPTNPC1RAB9A
SCHEMBL2979013 0.78 ALDH1A1 (0.36) PRUNE1ALDH1A1
SCHEMBL6141882 0.78 GAA (0.50) KDM4EASPHKDM8MAPTL3MBTL1

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
EP-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 EP disclosed