SCHEMBL7130834

SCHEMBL7130834

CC(N)Oc1ccc(N)cc1N.COc1ccc(NC(C)O)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
ESR1 P03372 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 7/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 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
SCHEMBL94983 0.86 ALDH1A1 (0.47) KDM4ETP53NPC1ESR1RAB9A
Sulfuric Acid SCHEMBL672455 0.80 CA1 (0.49) KDM4ETP53NPC1ESR1RAB9A
SCHEMBL3732045 0.78 ALDH1A1 (0.47) KDM4ETP53SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3862347 0.75 CASP1 (0.43) KDM4ETP53SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6666136 0.74 BCL6 (0.39) KDM4ETP53NPC1ESR1RAB9A
Methyl Alcohol SCHEMBL28031053 0.72 ALDH1A1 (0.59) KDM4ETP53ALDH1A1CYP3A4LMNA
SCHEMBL7556847 0.72 ALDH1A1 (0.36) KDM4ETP53NPC1ESR1RAB9A
SCHEMBL7556850 0.72 ALDH1A1 (0.39) KDM4ETP53NPC1ESR1RAB9A
SCHEMBL15514306 0.72 ALDH1A1 (0.64) KDM4ETP53ALDH1A1CYP3A4LMNA
SCHEMBL212391 0.72 ALDH1A1 (0.64) KDM4ETP53ALDH1A1CYP3A4LMNA

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
WO-2003075871-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO claimed