SCHEMBL7760992

SCHEMBL7760992

c1ccc(Oc2ccc(CNCc3cccs3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
GFER P55789 1/20 0.54
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48

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
SCHEMBL3625005 0.85 LMNA (0.71) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL3423751 0.84 TDP1 (0.74) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL8497858 0.83 KDM4E (0.67) MEN1KMT2ATDP1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL6122029 0.81 MEN1 (0.69) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL7756966 0.81 KDM4E (0.70) MEN1KMT2ATDP1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL9079843 0.79 KDM4E (0.68) MEN1KMT2ATDP1ALDH1A1MAPK1
Diphenylether SCHEMBL11163283 0.77 KDM4E (0.64) MEN1KMT2ATDP1ALDH1A1RECQL
SCHEMBL3159042 0.77 LMNA (0.68) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL6122653 0.77 LMNA (1.00) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL8826749 0.77 LMNA (0.70) LMNAMEN1KMT2AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-1090908-A2 Cyclobutane derivatives as inhibitors of protein farnesyltransferase ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO disclosed