SCHEMBL14463471

SCHEMBL14463471

CCOc1ccc(Nc2c(CI)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 11/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ POLB P06746 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL4928718 0.82 KMT2A (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14463434 0.78 MAPT (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5838060 0.77 MAPK1 (0.62) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14463550 0.73 KMT2A (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11348624 0.71 PTGS2 (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10647647 0.71 KMT2A (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6655518 0.70 PKM (0.55) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2772541 0.69 ALDH1A1 (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4931104 0.68 MAPT (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7499979 0.68 MAPT (0.55) KMT2AMEN1NPC1RAB9AMAPT

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
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