SCHEMBL14463550

SCHEMBL14463550

CCOc1ccc(Nc2cc(CI)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 3/20 0.58
MAPT P10636 9/20 0.53
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
IDO1 P14902 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL14463390 0.92 KMT2A (0.49) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14463391 0.88 KMT2A (0.45) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14463843 0.88 MAPT (0.57) KMT2ANPC1RAB9AMAPTMAPK1
SCHEMBL14463859 0.85 AR (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL4932353 0.82 MEN1 (0.60) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14463461 0.81 MAPT (0.54) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8886349 0.81 MAPT (0.59) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14463840 0.81 KMT2A (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL18296772 0.80 L3MBTL1 (0.59) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL7975715 0.80 RAB9A (0.56) KMT2ANPC1RAB9AMEN1MAPT

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
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed