SCHEMBL9868617

SCHEMBL9868617

NSc1nc(-c2ccc([N+](=O)[O-])cc2)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
XDH P47989 1/20 0.42
APP P05067 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TNFSF10 P50591 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8999506 0.85 TNFSF10 (0.49) MAPTXDHAPPGAARAB9A
SCHEMBL24217528 0.81 MAPT (0.44) MAPTXDHAPPGAARAB9A
SCHEMBL11423635 0.80 ADORA3 (0.56) MAPTXDHAPPMGAMGAA
SCHEMBL15393272 0.78 ACHE (0.46) MAPTGAALMNARAB9ANPC1
SCHEMBL8806142 0.76 XDH (0.45) MAPTXDHAPPMGAMGAA
SCHEMBL10749315 0.76 CASP3 (0.48) MAPTXDHAPPMGAMGAA
SCHEMBL9867247 0.76 CA2 (0.54) MAPTXDHAPPMGAMGAA
SCHEMBL9866657 0.76 NPC1 (0.46) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL9866528 0.76 CYP19A1 (0.41) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL9877197 0.76 ALDH1A1 (0.45) MAPTLMNAALDH1A1MEN1MAPK1

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