SCHEMBL14028541

SCHEMBL14028541

COCC(C)Nc1ccc(N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 1/20 0.37
RAD52 P43351 1/20 0.37
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.34
BRD4 O60885 3/20 0.33
CASP1 P29466 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TNIK Q9UKE5 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL14028554 0.81 TAS1R3 (0.41) HCAR3ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11301102 0.81 RAD52 (0.43) HCAR3ALDH1A1KDM4EMAPTRAD52
SCHEMBL10412215 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2MAPTCYP2C9
SCHEMBL4862775 0.80 SIGMAR1 (0.43) ALDH1A1KDM4ECYP1A2MAPTCYP2C9
SCHEMBL8372450 0.79 SIGMAR1 (0.42) ALDH1A1KDM4ECYP1A2MAPTCYP2C9
SCHEMBL8370672 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ECYP1A2MAPTCYP2C9
SCHEMBL13626615 0.76 KDM4E (0.48) HCAR3ALDH1A1KDM4EMAPTCYP2D6
SCHEMBL6255738 0.75 MAPT (0.49) HCAR3ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL4951647 0.74 ALDH1A1 (0.47) HCAR3ALDH1A1KDM4EMAPTCYP2D6
SCHEMBL33659 0.74 MAPT (0.46) ALDH1A1KDM4ECYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed