SCHEMBL11355262

SCHEMBL11355262

CCOc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
RAB9A P51151 7/20 0.63
MAPK1 P28482 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 6/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
PKM P14618 2/20 0.63
POLB P06746 2/20 0.63
ALDH1A1 P00352 3/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HCAR3 P49019 1/20 0.56
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
TDP1 Q9NUW8 3/20 0.55
CASP7 P55210 1/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55

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
SCHEMBL11349928 0.90 L3MBTL1 (0.56) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL7975715 0.89 RAB9A (0.56) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL5580003 0.85 CTSV (0.57) MAPTRAB9AMAPK1NPC1L3MBTL1
SCHEMBL6179431 0.85 AKR1C3 (0.74) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL5838060 0.83 MAPK1 (0.62) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL11690274 0.83 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL15201427 0.82 MAPT (0.64) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL7165979 0.81 PKM (0.63) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL2911535 0.80 MAPT (0.58) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL11351693 0.79 KMT2A (0.66) MAPTMAPK1SMN1; SMN2L3MBTL1PKM

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-4304939-A Preparation of N-phenyl-N-alkylphenylenediamines UOP INC. (US) 1981-12-08 US disclosed