SCHEMBL9045150

SCHEMBL9045150

CC(C)c1ccc(-c2c(Cl)ncnc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.47
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NOTUM Q6P988 2/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DGAT1 O75907 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PTGS2 P35354 1/20 0.37
MCL1 Q07820 1/20 0.36
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FAAH O00519 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL26818554 0.81 ADK (0.44) ADKRAB9ANPC1NOTUMTP53
SCHEMBL4065247 0.78 ADK (0.44) ADKNPSR1KDM4EHPGDSMN1; SMN2
SCHEMBL4063214 0.78 MAPT (0.47) ADKNOTUMTP53KDM4ESMN1; SMN2
SCHEMBL9045520 0.76 EDNRA (0.51) SMN1; SMN2PTGS2MAPT
SCHEMBL21180006 0.75 MCL1 (0.41) ADKRAB9ANPC1NOTUMTP53
SCHEMBL999683 0.74 MAPT (0.50) ADKRAB9ANPC1TP53NPSR1
SCHEMBL9048672 0.74 CYP1A2 (0.48) ADKRAB9ANPC1NPSR1KDM4E
SCHEMBL9045424 0.74 SMN1; SMN2 (0.50) RAB9ANPC1TP53KDM4ESMN1; SMN2
SCHEMBL9046890 0.73 ALDH1A1 (0.56) RAB9ANPC1TP53NPSR1KDM4E
SCHEMBL9052388 0.73 SMN1; SMN2 (0.40) RAB9ANPC1NOTUMTP53DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed