SCHEMBL5711652

SCHEMBL5711652

Nc1ccc(NCCO)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 6/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6546506 0.82 KMT2A (0.48) KMT2ATSHRTDP1NPC1PKM
SCHEMBL29768673 0.81 KMT2A (0.47) KMT2ATSHRTDP1NPC1PKM
SCHEMBL9383147 0.79 KAT2B (0.49) KMT2ATSHRTDP1NPC1PKM
SCHEMBL29596884 0.78 KMT2A (0.47) KMT2ATSHRTDP1NPC1PKM
SCHEMBL10480634 0.78 KAT2B (0.48) KMT2ATSHRTDP1NPC1PKM
SCHEMBL8797902 0.77 ALDH1A1 (0.43) KMT2ATSHRTDP1NPC1PKM
SCHEMBL9820263 0.77 NPC1 (0.45) KMT2ATSHRTDP1NPC1PKM
SCHEMBL108393 0.76 KMT2A (0.65) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL29390080 0.76 KMT2A (0.65) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL6896833 0.74 KMT2A (0.62) KMT2ATSHRTDP1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed