SCHEMBL11056141

SCHEMBL11056141

CCCNc1cc([N+](=O)[O-])c(N)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.54
HCAR3 P49019 2/20 0.48
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
KAT2B Q92831 5/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL30808005 0.88 MAPT (0.54) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL112790 0.88 MAPT (0.54) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL11054352 0.88 MAPT (0.49) MAPTALDH1A1HCAR3LMNATDP1
SCHEMBL111935 0.87 MAPT (0.52) MAPTALDH1A1PKMRAB9ALMNA
SCHEMBL29391950 0.87 MAPT (0.52) MAPTALDH1A1PKMRAB9ALMNA
SCHEMBL6151634 0.87 MAPT (0.52) MAPTALDH1A1LMNATDP1L3MBTL1
Bromide SCHEMBL10714879 0.85 MAPT (0.51) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL11056017 0.85 KAT2B (0.60) MAPTALDH1A1PKMLMNATDP1
SCHEMBL9498147 0.85 ALDH1A1 (0.48) MAPTALDH1A1PKMLMNATDP1
SCHEMBL11059627 0.84 MAPT (0.50) MAPTALDH1A1LMNAKAT2B

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
US-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed