SCHEMBL10942017

SCHEMBL10942017

Clc1ccccc1-c1ccnc(C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.39
CYP19A1 P11511 1/20 0.38
CNR1 P21554 1/20 0.38
IDO1 P14902 1/20 0.38
ABL1 P00519 5/20 0.38
HSD11B1 P28845 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN11 Q06124 1/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7171237 0.78 POLB (0.50) L3MBTL1POLBCASP3SENP7SENP6
SCHEMBL27762686 0.74 SMN1; SMN2 (0.41) GAAL3MBTL1POLBCASP3SENP7
SCHEMBL10941934 0.74 CYP2A6 (0.41) CNR1ABL1POLBCASP3SENP7
SCHEMBL27941436 0.74 GSK3A (0.42) CYP19A1IDO1CASP3SENP7SENP6
SCHEMBL447060 0.72 CYP19A1 (0.47) MAPK14CYP19A1IDO1GAAL3MBTL1
SCHEMBL22655962 0.72 SMN1; SMN2 (0.39) L3MBTL1POLBCASP3SENP7SENP6
SCHEMBL10940020 0.72 CYP19A1 (0.56) MAPK14CYP19A1IDO1GAAL3MBTL1
SCHEMBL11399284 0.72 LDHA (0.41) CNR1HSD11B1POLBCASP3SENP7
SCHEMBL16526833 0.71 TGFBR1 (0.44) GAAL3MBTL1POLBNPC1ALDH1A1
SCHEMBL9508967 0.71 POLB (0.64) HSD11B1L3MBTL1POLBCASP3SENP7

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