SCHEMBL17485643

SCHEMBL17485643

O=C(Cc1ccccc1)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 8/20 0.60
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 3/20 0.58
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PTK2 Q05397 1/20 0.54
DEGS1 O15121 1/20 0.54
STAT1 P42224 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL933299 0.87 RAB9A (0.74) L3MBTL1LMNATSHRRAB9AALDH1A1
SCHEMBL24654650 0.81 L3MBTL1 (0.78) L3MBTL1LMNATSHRRAB9ANPC1
SCHEMBL614739 0.79 L3MBTL1 (0.70) L3MBTL1LMNATSHRRAB9ANPC1
SCHEMBL18292466 0.79 L3MBTL1 (0.78) L3MBTL1LMNATSHRRAB9AALDH1A1
Hydrochloric Acid SCHEMBL329950 0.78 L3MBTL1 (0.68) L3MBTL1LMNATSHRRAB9ANPC1
Lithium SCHEMBL209869 0.78 L3MBTL1 (0.68) L3MBTL1LMNATSHRRAB9ANPC1
SCHEMBL209867 0.78 L3MBTL1 (0.68) L3MBTL1LMNATSHRRAB9ANPC1
Lithium Ion SCHEMBL209868 0.76 L3MBTL1 (0.66) L3MBTL1LMNATSHRRAB9AALDH1A1
Ethyl Chloride SCHEMBL21273828 0.76 PTK2 (0.61) L3MBTL1LMNATSHRRAB9AALDH1A1
SCHEMBL4124368 0.76 L3MBTL1 (0.75) L3MBTL1LMNATSHRRAB9ANPC1

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-2980090-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE Daiichi Sankyo Co., Ltd. (JP) 2016-02-03 EP disclosed