SCHEMBL9451256

SCHEMBL9451256

Oc1cccc(-n2cnc(-c3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
NLRP3 Q96P20 1/20 0.62
FYN P06241 4/20 0.54
OPRD1 P41143 3/20 0.48
OPRM1 P35372 1/20 0.47
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
MLLT3 P42568 1/20 0.46
MLLT1 Q03111 1/20 0.46
FGFR1 P11362 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM5 P41594 1/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL12871321 0.90 HSD17B1 (0.57) NPC1RAB9ANLRP3FYNOPRD1
SCHEMBL17279832 0.88 RAB9A (0.67) NPC1RAB9ANLRP3FYNFGFR1
SCHEMBL10775340 0.84 NPC1 (0.77) NPC1RAB9ANLRP3FGFR1MEN1
SCHEMBL27544953 0.83 NPC1 (0.71) NPC1RAB9ANLRP3FYNHSD17B1
SCHEMBL1180816 0.81 HSD17B1 (0.57) NPC1RAB9ANLRP3FYNHSD17B1
SCHEMBL18122023 0.81 RAB9A (0.58) NPC1RAB9ANLRP3MEN1GAA
SCHEMBL6263490 0.81 RAB9A (0.58) NPC1RAB9ANLRP3FGFR1MEN1
SCHEMBL181755 0.80 NPC1 (0.54) NPC1RAB9ANLRP3FGFR1MEN1
SCHEMBL18120009 0.77 NPC1 (0.54) NPC1RAB9ANLRP3OPRD1OPRM1
SCHEMBL19198665 0.77 NPC1 (0.54) NPC1RAB9ANLRP3GRM5GABRG2

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-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5192785-A Sulfamates as antiglaucoma agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-09 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed
EP-0403185-A2 Compounds having one or more aminosulfonyloxy radicals useful as pharmaceuticals A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-19 EP disclosed