SCHEMBL3686346

SCHEMBL3686346

c1ccc(-n2cnn3nccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
FGFR1 P11362 6/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 2/20 0.33
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL15122698 0.69 POLB (0.39) ALDH1A1TDP1POLBHTTFGFR1
SCHEMBL5487028 0.66
SCHEMBL3688211 0.61 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL3265646 0.60 GSK3A (0.45) ALDH1A1TDP1HTTSMN1; SMN2KDM4E
SCHEMBL22931495 0.60 HTT (0.41) ALDH1A1TDP1HTTFGFR1SMN1; SMN2
SCHEMBL2266701 0.58
SCHEMBL4451027 0.58 KDM4E (0.52) ALDH1A1POLBHTTCYP3A4SMN1; SMN2
SCHEMBL9827675 0.57 ALDH1A1 (0.46) ALDH1A1TDP1HTTFGFR1CYP3A4
SCHEMBL2040804 0.56 EGFR (0.46) ALDH1A1HTTFGFR1SMN1; SMN2SRC
SCHEMBL30269650 0.56 EGFR (0.46) ALDH1A1HTTFGFR1SMN1; SMN2SRC

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-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed