SCHEMBL9866657

SCHEMBL9866657

NSc1nc(-c2ccc(Cl)cc2)ns1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
CYP19A1 P11511 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALPL P05186 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
SCHEMBL8999567 0.82 RAB9A (0.50) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9866528 0.82 CYP19A1 (0.41) NPC1RAB9ALMNASMN1; SMN2ADORA3
SCHEMBL9877197 0.82 ALDH1A1 (0.45) LMNASMN1; SMN2MEN1KMT2AADORA3
SCHEMBL9867210 0.81 ADORA3 (0.58) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9875069 0.81 CYP19A1 (0.41) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9867185 0.80 ALDH1A1 (0.45) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL24217503 0.78 ALDH1A1 (0.49) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9868361 0.78 MKNK1 (0.41) NPC1RAB9ALMNACYP19A1
SCHEMBL9867822 0.78 MAPT (0.55) NPC1RAB9ALMNASMN1; SMN2ADORA3
SCHEMBL9868617 0.76 MAPT (0.43) NPC1RAB9ALMNASMN1; SMN2MEN1

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