SCHEMBL11054352

SCHEMBL11054352

CCNc1cc([N+](=O)[O-])c(N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HCAR3 P49019 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL11056141 0.88 MAPT (0.54) MAPTALDH1A1HCAR3TSHRCYP3A4
SCHEMBL30808005 0.84 MAPT (0.54) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL112790 0.84 MAPT (0.54) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL6151634 0.83 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL29391950 0.83 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL111935 0.83 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL11056017 0.82 KAT2B (0.60) MAPTALDH1A1LMNATDP1L3MBTL1
Bromide SCHEMBL10714879 0.82 MAPT (0.51) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL9498147 0.82 ALDH1A1 (0.48) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL2472285 0.81 TSHR (0.49) MAPTALDH1A1HCAR3TSHRCYP3A4

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