SCHEMBL6691228

SCHEMBL6691228

COc1ccn(C)c(=NN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.34
LPO P22079 2/20 0.33
THRB P10828 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL14370741 0.75 CHRM5 (0.35) CYP3A4CYP1A2ALDH1A1SMN1; SMN2LPO
SCHEMBL17849029 0.75 ALDH1A1 (0.32) CYP3A4ALDH1A1SMN1; SMN2LPOPTPN1
SCHEMBL22847783 0.69 KDM4E (0.54) MEN1MAPTKMT2ACYP1A2HPGD
SCHEMBL4810016 0.69 TUBB4A (0.47) MAPTCYP2C9HPGDRAB9AALDH1A1
SCHEMBL14369885 0.64
SCHEMBL13686093 0.64
SCHEMBL4614466 0.63 CA2 (0.46) CYP3A4MEN1MAPTKMT2ACYP1A2
Formic Acid SCHEMBL30781893 0.63 TUBB4A (0.45) MAPTALDH1A1CA2CA1CA7
SCHEMBL1093766 0.63 HTR2A (0.57) MEN1MAPTKMT2ACYP1A2NPSR1
SCHEMBL30444309 0.63 PRKCI (0.55) CYP1A2HPGDALDH1A1SMN1; SMN2

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-7594936-B2 Dye composition for keratin fibers containing an aldehyde precursor, enzyme and hydrazone, and method using this composition L'OREAL S.A. (FR) 2009-09-29 US disclosed
US-7594936-B2 Dye composition for keratin fibers containing an aldehyde precursor, enzyme and hydrazone, and method using this composition L'OREAL S.A. (FR) 2009-09-29 US disclosed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed