SCHEMBL6546506

SCHEMBL6546506

Cc1c(NCCO)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KAT2B Q92831 1/20 0.41
POLB P06746 2/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 3/20 0.40

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
SCHEMBL27991451 0.84 KMT2A (0.46) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL5711652 0.82 KMT2A (0.48) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL29768673 0.81 KMT2A (0.47) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL9383147 0.79 KAT2B (0.49) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL29596884 0.78 KMT2A (0.47) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL10480634 0.78 KAT2B (0.48) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL8797902 0.77 ALDH1A1 (0.43) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL28855357 0.77 ALDH1A1 (0.46) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL108393 0.76 KMT2A (0.65) KMT2ATDP1TSHRMAPTALDH1A1
SCHEMBL29390080 0.76 KMT2A (0.65) KMT2ATDP1TSHRMAPTALDH1A1

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
EP-2054123-B1 HAIR COLOR CHANGE WHICH PROTECTS THE SKIN HENKEL AG & CO KGAA (DE) 2013-11-20 EP disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
US-4736067-A DIRECT AND OXIDATION HAIR DYES L'OREAL (FR) 1988-04-05 US disclosed