SCHEMBL6652836

SCHEMBL6652836

COc1cccc2c1nc(OC)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.49
TLR8 Q9NR97 1/20 0.48
RAB9A P51151 4/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
CASP6 P55212 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
MCHR1 Q99705 1/20 0.42
TP53 P04637 1/20 0.42
PDE10A Q9Y233 4/20 0.42
PDE2A O00408 2/20 0.42

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
SCHEMBL194252 0.82 TLR8 (0.48) NQO2TLR8RAB9APOLBMAPT
SCHEMBL7707554 0.82 TLR8 (0.48) NQO2TLR8RAB9APOLBMAPT
SCHEMBL7006553 0.81 RAB9A (0.48) RAB9AMAPTMEN1KMT2APKM
SCHEMBL3860530 0.81 TLR8 (0.61) NQO2TLR8RAB9AMAPTSMN1; SMN2
SCHEMBL7011080 0.81 ACHE (0.42) NQO2TLR8RAB9AMAPTALDH1A1
SCHEMBL6652152 0.79 TLR8 (0.59) NQO2TLR8POLBMAPTSMN1; SMN2
SCHEMBL3643132 0.78 TLR8 (0.55) NQO2TLR8RAB9APOLBMAPT
SCHEMBL1161432 0.77 RAB9A (0.50) NQO2TLR8RAB9AALDH1A1MEN1
SCHEMBL347527 0.77 KMT2A (0.46) NQO2RAB9APOLBMAPTSMN1; SMN2
SCHEMBL14685303 0.77 RAB9A (0.57) NQO2TLR8RAB9AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed