SCHEMBL9508967

SCHEMBL9508967

Clc1ccccc1-c1nc(C2CCCCC2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
CASP3 P42574 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14305118 0.78 POLB (1.00) POLBCASP3SENP7SENP6NPC1
SCHEMBL7393716 0.74 POLB (0.53) POLBCASP3SENP7SENP6NPC1
SCHEMBL9506927 0.73 ALDH1A1 (0.58) POLBCASP3SENP7SENP6NPC1
SCHEMBL21889030 0.72 AOC3 (0.54) POLBCASP3SENP7SENP6NPC1
SCHEMBL21988614 0.72 POLB (0.51) POLBCASP3SENP7SENP6NPC1
SCHEMBL9505522 0.72 NPC1 (0.70) POLBCASP3SENP7SENP6NPC1
SCHEMBL11399284 0.72 LDHA (0.41) POLBCASP3SENP7SENP6NPC1
SCHEMBL13135848 0.72 HTR4 (0.54) POLBCASP3SENP7SENP6NPC1
SCHEMBL10941934 0.71 CYP2A6 (0.41) POLBCASP3SENP7SENP6NPC1
SCHEMBL7398146 0.71 CHRM1 (0.47) POLBCASP3SENP7SENP6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0325336-A1 Oxadiazole compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-07-26 EP disclosed
EP-0036711-B1 PESTICIDAL HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM, AND THEIR USE FBC LIMITED (GB) 1985-12-04 EP disclosed
US-4414221-A MITICIDES, INSECTICIDES, APHIDICIDES FBC LIMITED (GB) 1983-11-08 US disclosed
EP-0036711-A2 Pesticidal heterocyclic compounds, processes for preparing them, compositions containing them, and their use FBC LIMITED (GB) 1981-09-30 EP disclosed