SCHEMBL3946801

SCHEMBL3946801

O=c1cc(O)[nH]n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
ALKBH5 Q6P6C2 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MPI P34949 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL951472 0.77 ALKBH5 (0.73) MAPTALDH1A1LMNAPOLBBLM
Methyl Alcohol SCHEMBL1028813 0.77 MAPT (0.69) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL10444620 0.77 ALDH1A1 (0.46) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL11642423 0.77 ALDH1A1 (0.46) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL34121 0.76 ALDH1A1 (0.68) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL9150171 0.76 ALDH1A1 (0.68) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL5425653 0.76 ALDH1A1 (0.68) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL3365278 0.76 MAPT (0.56) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL28153447 0.76 MAPT (0.56) MAPTALDH1A1LMNAPOLBBLM
SCHEMBL7449761 0.76 TSHR (0.61) MAPTALDH1A1LMNAPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP claimed
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP disclosed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP disclosed