SCHEMBL28044831

SCHEMBL28044831

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.84
KMT2A Q03164 4/20 0.84
SMN1; SMN2 Q16637 6/20 0.78
RAB9A P51151 2/20 0.78
POLB P06746 2/20 0.78
NPC1 O15118 1/20 0.78
MCL1 Q07820 1/20 0.78
GAA P10253 1/20 0.78
HTT P42858 3/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 3/20 0.66
LMNA P02545 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 2/20 0.66
PPARG P37231 2/20 0.66
TP53 P04637 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
PKM P14618 1/20 0.66

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
SCHEMBL8310013 0.91 MAPT (0.80) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL12443211 0.90 MAPT (0.74) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL12443223 0.88 MAPT (0.71) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL9423772 0.88 MAPT (0.75) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL7130609 0.88 RORC (0.84) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL25393198 0.88 MAPT (0.70) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL12443206 0.86 MAPT (0.73) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL12443207 0.86 MAPT (0.73) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL25394310 0.85 MAPT (0.71) MAPTKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL28010009 0.85 KMT2A (0.74) MAPTKMT2ASMN1; SMN2RAB9APOLB

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
CN-105294473-A 2-chlorine-4,4'-diaminobenzanilide preparation method CHANGZHOU SUNLIGHT PHARM CO LTD 2016-02-03 CN disclosed