SCHEMBL10940832

SCHEMBL10940832

CCn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.63
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PDE2A O00408 2/20 0.45
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 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
SCHEMBL19549118 0.88 HSD11B1 (0.54) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10939819 0.85 HSD11B1 (0.65) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2747473 0.78 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10947181 0.77 HSD11B1 (0.53) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8978553 0.75 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL10940862 0.74 ALDH1A1 (1.00) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18912380 0.73 HSD11B1 (0.81) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11186734 0.71 LMNA (0.40) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10944048 0.70 NR1H3 (0.52) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2748146 0.70 HSD11B1 (0.82) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2

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