SCHEMBL5320705

SCHEMBL5320705

CC(=O)Cc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
CTBP2 P56545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 2/20 0.41
CNR2 P34972 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL48823 0.88 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL27891675 0.86 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AMEN1KMT2A
Formaldehyde SCHEMBL2079424 0.84 L3MBTL1 (0.52) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL11565077 0.83 CYP26A1 (0.51) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL7149157 0.82 NPC1 (0.50) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL7151264 0.82 NPC1 (0.50) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL11540826 0.81 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL27597052 0.81 EGFR (0.50) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL9377377 0.79 POLB (0.47) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL2367221 0.78 POLB (0.56) L3MBTL1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed