SCHEMBL3972345

SCHEMBL3972345

O=C(O)Nc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CLCN2 P51788 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL21244220 0.86 LMNA (0.51) LMNAMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL15619469 0.83 ALDH1A1 (0.53) LMNAMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL2093660 0.82 MEN1 (0.56) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL17796920 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1L3MBTL1THRA
SCHEMBL9537883 0.79 CYP2A6 (0.47) LMNAMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL21933933 0.79 LMNA (0.68) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15627435 0.79 LCK (0.48) LMNAMEN1KMT2ACYP2A6ALDH1A1
SCHEMBL3911337 0.79 HTT (0.51) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3904432 0.78 CAMK2A (0.44) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11158773 0.78 PLK1 (0.55) LMNAMEN1KMT2AALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP claimed
EP-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP claimed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 EP claimed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 WO claimed
EP-2897938-B1 FLUOROALKYL DIBENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
US-9133126-B2 Fluoroalkyl dibenzoazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed