SCHEMBL29960239

SCHEMBL29960239

NCCOc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PRSS1 P07477 4/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 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
SCHEMBL11545051 0.92 RECQL (0.58) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL11545840 0.90 TDP1 (0.55) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL11547457 0.90 TDP1 (0.55) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL16861180 0.86 TDP1 (0.50) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL16775013 0.86 MAPT (0.60) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL11548423 0.85 TDP1 (0.56) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL5512119 0.84 RECQL (0.50) TDP1TSHRRECQLNPC1RAB9A
SCHEMBL3811713 0.83 TDP1 (0.54) TDP1RECQLNPC1RAB9AALDH1A1
SCHEMBL4038622 0.83 ALDH1A1 (0.55) TSHRNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL6383543 0.82 MAPT (0.58) TDP1TSHRRECQLNPC1RAB9A

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-4061180-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2022-09-28 EP disclosed