SCHEMBL548590

SCHEMBL548590

Cc1cc(NCCCn2ccnc2)ccc1N.Nc1ncccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SOD1 P00441 2/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
TSHR P16473 1/20 0.42
CLK1 P49759 1/20 0.42
CYP19A1 P11511 1/20 0.41
HTT P42858 1/20 0.41
GLA P06280 1/20 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
SCHEMBL15793526 0.89 QPCT (0.51) QPCTNPC1RAB9AATMMEN1
SCHEMBL291484 0.87 QPCT (0.54) QPCTNPC1RAB9AATMMEN1
Hydrochloric Acid SCHEMBL4396866 0.86 QPCT (0.53) QPCTNPC1RAB9AATMMEN1
Hydrochloric Acid SCHEMBL19549172 0.86 QPCT (0.53) QPCTNPC1RAB9AATMMEN1
1-Naphthol SCHEMBL14953678 0.84 SOD1 (0.50) QPCTNPC1RAB9AATMMEN1
SCHEMBL19923777 0.84 QPCT (0.45) QPCTNPC1RAB9AATMMEN1
3-Aminophenol SCHEMBL15793122 0.83 QPCT (0.49) QPCTNPC1RAB9AATMMEN1
SCHEMBL20263013 0.77 QPCT (0.46) QPCTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17351760 0.77 QPCT (0.43) QPCTNPC1RAB9AATMMEN1
SCHEMBL2452433 0.77 QPCT (0.52) QPCTPOLBCYP19A1

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
US-10413499-B2 Oxidative hair treatment with post-treatment for improving fastness to washing HENKEL AG & CO. KGAA (DE) 2019-09-17 US disclosed
US-20180168980-A1 OXIDATIVE HAIR TREATMENT WITH POST-TREATMENT FOR IMPROVING FASTNESS TO WASHING HENKEL AG & CO. KGAA (DE) 2018-06-21 US disclosed
US-8110010-B2 Coated coloring agents HENKEL AG & CO. KGAA (DE) 2012-02-07 US disclosed