SCHEMBL667879

SCHEMBL667879

CN(C)c1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 7/20 0.39
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.36
HTT P42858 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL11473400 0.85 ALDH1A1 (0.46) TDP1HSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL8374 0.75 TDP1 (0.54) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL2016086 0.74 KMT2A (0.44) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL33832 0.72 TDP1 (0.46) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL7136437 0.72 TDP1 (0.46) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL709825 0.72 TDP1 (0.42) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL2075134 0.71 TDP1 (0.45) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL7907932 0.71 TDP1 (0.45) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL1179577 0.71 TDP1 (0.45) TDP1HSD17B10TSHRKMT2AMEN1
SCHEMBL41322 0.71 GPR35 (0.54) TDP1HSD17B10TSHRKMT2AMEN1

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
WO-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed