SCHEMBL6169610

SCHEMBL6169610

CSc1ccc(CC(=NO)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSL P07711 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL6169609 1.00 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL4807381 0.93 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL4807375 0.93 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL4586154 0.82 CTSL (0.55) KDM4ESMN1; SMN2CTSLTSHRALOX12
SCHEMBL257218 0.82 CTSL (0.55) KDM4ESMN1; SMN2CTSLTSHRALOX12
SCHEMBL4586157 0.82 CTSL (0.55) KDM4ESMN1; SMN2CTSLTSHRALOX12
SCHEMBL4028381 0.81 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2CYP1A2ALDH1A1MAPT
SCHEMBL4028385 0.81 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2CYP1A2ALDH1A1MAPT
SCHEMBL10733336 0.81 KDM4E (0.54) KDM4ESMN1; SMN2KMT2AMEN1CTSL
SCHEMBL28302059 0.79 LMNA (0.52) KDM4ESMN1; SMN2KMT2AMEN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed