SCHEMBL10942013

SCHEMBL10942013

Cn1c(S)nnc1-c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.76
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL2747473 0.87 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL18912380 0.81 HSD11B1 (0.81) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7454138 0.80 HSD11B1 (0.47) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL24820549 0.79 HSD11B1 (0.63) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL8628370 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1544072 0.79 HSD11B1 (0.55) HSD11B1
SCHEMBL2748146 0.79 HSD11B1 (0.82) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL4345607 0.79 ALDH1A1 (0.76) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL19549118 0.78 HSD11B1 (0.54) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL29920332 0.78 HSD11B1 (0.46) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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