SCHEMBL8448355

SCHEMBL8448355

CC(=O)c1ccc([N+](=O)[O-])c(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ATM Q13315 1/20 0.37
SLC9A1 P19634 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
VCAM1 P19320 1/20 0.37

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
SCHEMBL11551963 0.78 TDP1 (0.59) TDP1KMT2AMEN1TTRALB
SCHEMBL31094807 0.77 TDP1 (0.42) TDP1KMT2AMAPTCA12CA9
SCHEMBL29488320 0.76 TSHR (0.53) TDP1KMT2AMEN1THRBALDH1A1
SCHEMBL505223 0.76 TSHR (0.53) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3910666 0.76 TSHR (0.53) TDP1KMT2AMEN1THRBALDH1A1
SCHEMBL4964293 0.75 TDP1 (0.52) TDP1KMT2AMEN1TTRALB
SCHEMBL8335528 0.75 TDP1 (0.52) TDP1KMT2AMEN1TTRALB
Hydrochloric Acid SCHEMBL7423303 0.75 TSHR (0.51) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL10964869 0.74 KMT2A (0.37) KMT2AATMTSHRMAPK1CYP3A4
SCHEMBL10727741 0.74 TDP1 (0.67) TDP1KMT2AMEN1TTRALB

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
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP disclosed