SCHEMBL6169428

SCHEMBL6169428

COc1ccc(C(Cc2ccc(SC)cc2)=NO)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL6169425 1.00 KDM4E (0.49) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL6168236 0.85 KDM4E (0.49) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL6168240 0.85 KDM4E (0.49) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL6170212 0.82 LMNA (0.49) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL4028381 0.79 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2GAAPKMALDH1A1
SCHEMBL4028385 0.79 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2GAAPKMALDH1A1
SCHEMBL7810424 0.74 CYP1A2 (0.53) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL4807381 0.72 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6169610 0.72 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6169609 0.72 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ALMNA

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