SCHEMBL7155647

SCHEMBL7155647

COc1ccc(NCc2cc(N)ccc2O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
CASP1 P29466 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GLA P06280 1/20 0.55
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
DHFR P00374 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46

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
SCHEMBL7170451 0.95 EGFR (0.57) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL7155971 0.88 EGFR (0.52) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL6273914 0.86 MAPT (0.57) KDM4EALDH1A1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL6269352 0.84 MAPT (0.56) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7162593 0.83 CA1 (0.64) EGFRALDH1A1GAAMEN1KMT2A
SCHEMBL7158153 0.81 ARG1 (0.56) EGFRALDH1A1MAPTCA1CA2
SCHEMBL2991426 0.80 EGFR (0.62) EGFRALDH1A1MAPTCA1CA2
SCHEMBL7162302 0.80 CA1 (0.53) EGFRALDH1A1GAAMAPTMEN1
SCHEMBL7620954 0.79 EGFR (0.54) EGFRKDM4EALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL2990403 0.79 EGFR (0.61) EGFRALDH1A1MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN disclosed
EP-1331918-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-08-06 EP disclosed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO disclosed