SCHEMBL11092141

SCHEMBL11092141

CC(=O)Nc1ccc(C)c(O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 3/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL23924910 0.85 KMT2A (0.50) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL8512483 0.83 KMT2A (0.45) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL30623145 0.83 KMT2A (0.45) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL21486767 0.83 RXFP1 (0.47) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL11094360 0.83 KMT2A (0.45) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL10969677 0.82 KMT2A (0.47) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL11083281 0.81 ALDH1A1 (0.42) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL11095118 0.81 SMN1; SMN2 (0.52) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL23925201 0.80 KMT2A (0.52) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL7414257 0.79 SMN1; SMN2 (0.46) KMT2AMAPTNPSR1ALDH1A1HTT

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
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed