SCHEMBL8036845

SCHEMBL8036845

CC(C)(C)c1c(N)c(N)nn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
STAT3 P40763 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8038668 0.86 GAA (0.53) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8034840 0.78 KDM4E (0.75) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8036819 0.75 KDM4E (0.53) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8038821 0.74 KDM4E (0.51) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL22304566 0.74 KDM4E (0.51) KDM4EGRNSORT1GAAPOLB
SCHEMBL8025202 0.73 KDM4E (0.50) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8035242 0.73 SMN1; SMN2 (0.53) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL1010749 0.71 GRN (0.62) KDM4EGRNSORT1GAAPOLB
SCHEMBL8025183 0.71 KDM4E (0.51) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8041027 0.70 CNR1 (0.42) ADORA2A

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-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US claimed
US-6118008-A FIBER-REACTIVE DYE; HAIR DYE L'OREAL (FR) 2000-09-12 US disclosed
US-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US disclosed