SCHEMBL9864648

SCHEMBL9864648

CCCCNc1cc(O)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
HCAR3 P49019 3/20 0.53
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
HTT P42858 1/20 0.41
KAT2B Q92831 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
SCHEMBL10461578 0.95 MAPT (0.53) MAPTHCAR3PKMPOLBLMNA
SCHEMBL9865002 0.90 LMNA (0.49) MAPTHCAR3PKMPOLBLMNA
SCHEMBL10464098 0.84 LMNA (0.49) MAPTHCAR3PKMPOLBLMNA
SCHEMBL15239673 0.78 MAPT (0.61) MAPTHCAR3PKMPOLBLMNA
SCHEMBL762553 0.77 SMN1; SMN2 (0.60) MAPTHCAR3PKMPOLBLMNA
SCHEMBL21815032 0.77 MAPT (0.64) MAPTHCAR3PKMPOLBLMNA
SCHEMBL10666174 0.77 MAPT (0.46) MAPTHCAR3PKMPOLBLMNA
SCHEMBL29959789 0.76 MAPT (0.60) MAPTHCAR3PKMPOLBLMNA
SCHEMBL14334902 0.76 MAPT (0.60) MAPTHCAR3PKMPOLBLMNA
SCHEMBL27510433 0.76 HTT (0.57) MAPTPKMLMNAALDH1A1TDP1

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-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US disclosed