SCHEMBL9868463

SCHEMBL9868463

NSc1nc(-c2ccccc2Br)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
PBRM1 Q86U86 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
AHR P35869 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
MAPK1 P28482 4/20 0.35
TP53 P04637 3/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
IDO1 P14902 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL9868234 0.80 L3MBTL1 (0.52) HSD17B10SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL9867471 0.80 NPC1 (0.42) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL9867363 0.80 NPC1 (0.62) HSD17B10SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL9867842 0.78 RAB9A (0.40) SMN1; SMN2RAB9ANPC1LMNAL3MBTL1
SCHEMBL16511706 0.77 ADORA3 (0.56) HSD17B10SMN1; SMN2RAB9ANPC1PBRM1
SCHEMBL9867795 0.76 PSMB8 (0.42) HSD17B10SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL9868513 0.76 NPC1 (0.39) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL9867210 0.75 ADORA3 (0.58) SMN1; SMN2RAB9ANPC1LMNAL3MBTL1
SCHEMBL9866528 0.72 CYP19A1 (0.41) HSD17B10SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL9867188 0.72 CA1 (0.39) HSD17B10SMN1; SMN2RAB9ANPC1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed