SCHEMBL699223

SCHEMBL699223

COC(=O)c1ncccc1Cl.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
MAP2K1 Q02750 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NFE2L2 Q16236 1/20 0.41
BRD4 O60885 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
SCHEMBL287063 0.98 L3MBTL1 (0.60) L3MBTL1ALDH1A1POLBTDP1NPSR1
SCHEMBL22290177 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1POLBTDP1NPSR1
SCHEMBL7108131 0.83 CASP3 (0.43) L3MBTL1ALDH1A1POLBTDP1NPSR1
SCHEMBL27999275 0.81 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1TDP1NPSR1KMT2A
SCHEMBL28274818 0.80 CTNNB1 (0.42) L3MBTL1ALDH1A1TDP1NPSR1HTT
SCHEMBL17781263 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1POLBNPSR1ALOX15
SCHEMBL69177 0.79 L3MBTL1 (0.64) L3MBTL1ALDH1A1POLBTDP1NPSR1
SCHEMBL1495328 0.79 BRD4 (0.60) L3MBTL1ALDH1A1NPSR1CYP1A2KMT2A
SCHEMBL2414354 0.79 POLB (0.44) L3MBTL1ALDH1A1POLBTDP1
SCHEMBL31636805 0.79 L3MBTL1 (0.46) L3MBTL1ALDH1A1POLBTDP1NPSR1

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-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed