SCHEMBL6151489

SCHEMBL6151489

Nc1ccc(N)c(CCCc2cc(N)ccc2N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.37
PRKCI P41743 1/20 0.36
GFER P55789 1/20 0.36
CYP3A4 P08684 4/20 0.35
MAPT P10636 4/20 0.35
CYP19A1 P11511 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 2/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL10952738 0.90 CASP1 (0.40) CASP1PRKCIGFERCYP3A4MAPT
SCHEMBL29020345 0.89 MPO (0.35) CASP1PRKCICYP3A4MAPTALDH1A1
SCHEMBL29384423 0.87 RAD52 (0.42) CASP1PRKCICYP3A4MAPTCYP19A1
SCHEMBL30227228 0.87 SKP2 (0.48) CASP1PRKCICYP3A4MAPTALDH1A1
SCHEMBL39005 0.87 SKP2 (0.48) CASP1PRKCICYP3A4MAPTALDH1A1
SCHEMBL6257247 0.87 RAD52 (0.42) CASP1PRKCICYP3A4MAPTCYP19A1
SCHEMBL18469203 0.85 TAAR1 (0.40) CASP1PRKCIGFERCYP3A4MAPT
Hydrochloric Acid SCHEMBL22283009 0.85 RAD52 (0.45) CASP1PRKCICYP3A4MAPTCYP19A1
Hydrochloric Acid SCHEMBL31663912 0.85 RAD52 (0.45) CASP1PRKCICYP3A4MAPTCYP19A1
Hydrochloric Acid SCHEMBL17843137 0.85 RAD52 (0.45) CASP1PRKCICYP3A4MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301163-B1 OXIDATIVE HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2,4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KGAA (DE) 2005-01-26 EP claimed
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP disclosed
EP-1301163-B1 OXIDATIVE HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2,4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KGAA (DE) 2005-01-26 EP disclosed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP disclosed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed