SCHEMBL9507810

SCHEMBL9507810

COc1ccc(Oc2noc(-c3ccccc3F)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.69
RAB9A P51151 9/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MAPT P10636 5/20 0.69
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
TP53 P04637 2/20 0.69
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50

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
SCHEMBL8691313 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL10094742 0.71 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL5836665 0.69 ENPP3 (0.61) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL6170686 0.69 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL27844549 0.69 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2088466 0.68 ABL1 (0.60) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8691309 0.68 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9509414 0.67 NR1H4 (0.55) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL19886565 0.67 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL18610908 0.67 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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
JP-1216981-A None JP disclosed
EP-0325336-B1 OXADIAZOLE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS PESTICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-04 EP disclosed
US-4929628-A Oxadiazole compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B. V. (NL) 1990-05-29 US disclosed
JP-H01216981-A OXADIAZOLE COMPOUND, ITS PREPARATION AND ITS USE AS INSECTICIDE SHELL INTERNATL RES MAATSCHAPPIJ BV 1989-08-30 JP disclosed
EP-0325336-A1 Oxadiazole compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-07-26 EP disclosed