SCHEMBL5611299

SCHEMBL5611299

CCc1c(NCCO)cc(N)c([N+](=O)[O-])c1CCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 3/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
TSHR P16473 2/20 0.36
NR1I2 O75469 1/20 0.35
AHR P35869 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
SCHEMBL29768673 0.79 KMT2A (0.47) MAPTTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL210590 0.79 MAPT (0.43) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL10580316 0.76 MAPT (0.42) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL29596884 0.76 KMT2A (0.47) MAPTTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5175161 0.74 MAPT (0.40) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL5690966 0.74 ALDH1A1 (0.48) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL10577382 0.73 MAPT (0.40) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL10579602 0.72 POLB (0.39) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9820263 0.71 NPC1 (0.45) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9820281 0.71 KMT2A (0.44) MAPTGAATDP1ALDH1A1SMN1; 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-1861068-A1 PROCESS FOR DYEING THE HAIR USING AN ANIONIC COLOURED POLYMER L'OREAL (FR) 2007-12-05 EP disclosed
WO-2006097360-A1 PROCESS FOR DYEING THE HAIR USING AN ANIONIC COLOURED POLYMER L'OREAL (FR) 2006-09-21 WO disclosed