SCHEMBL10940862

SCHEMBL10940862

Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
LMNA P02545 2/20 1.00
HSD11B1 P28845 8/20 0.64
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4345607 0.87 ALDH1A1 (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9831153 0.85 HSD11B1 (0.73) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2747473 0.78 HSD11B1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10940832 0.74 HSD11B1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18912380 0.74 HSD11B1 (0.81) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25412127 0.72 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13984002 0.72 KDM4E (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30147353 0.72 HSD11B1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10939819 0.71 HSD11B1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2748146 0.71 HSD11B1 (0.82) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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