SCHEMBL15544875

SCHEMBL15544875

COc1cc([N+](=O)[O-])cnc1CNC(=O)O.COc1cc([N+](=O)[O-])cnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HTT P42858 3/20 0.40
PKM P14618 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 7/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15544876 1.00 ATM (0.41) ATMHTTPKMALDH1A1MAPT
SCHEMBL16680964 0.93 ATM (0.45) ATMHTTPKMALDH1A1MAPT
SCHEMBL16680963 0.93 ATM (0.45) ATMHTTPKMALDH1A1MAPT
SCHEMBL181084 0.81 HTT (0.49) HTTPKMMAPTKMT2AMEN1
SCHEMBL29764890 0.81 HTT (0.49) HTTPKMMAPTKMT2AMEN1
SCHEMBL22557892 0.75 PKM (0.47) HTTPKMALDH1A1MAPTKMT2A
SCHEMBL15544893 0.73 ADORA2A (0.42) ALDH1A1KMT2AMEN1
SCHEMBL15545354 0.73 ATM (0.43) ATMHTTALDH1A1MAPTKMT2A
SCHEMBL15545351 0.73 ATM (0.43) ATMHTTALDH1A1MAPTKMT2A
SCHEMBL20582641 0.70 HTT (0.53) HTTPKMALDH1A1MAPTKMT2A

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-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 WO disclosed