SCHEMBL9764723

SCHEMBL9764723

[CH2]c1ncccc1Oc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 3/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9343289 0.84 KMT2A (0.40) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL8830149 0.83 LTA4H (0.42) LMNAHTTRAB9ASLC6A2SLC6A4
SCHEMBL9342673 0.82 KMT2A (0.47) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL9340514 0.82 RAB9A (0.45) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9764726 0.79 PTGS1 (0.46) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL12212314 0.75 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL570633 0.75 KDM4E (0.42) KDM4ELMNAHTTSMN1; SMN2NPC1
SCHEMBL9338875 0.75 HTR2A (0.46) KDM4ELMNASLC6A4KMT2ACYP2C19
SCHEMBL3839100 0.74 ALDH1A1 (0.58) LMNAHTTSLC6A2SLC6A4SLC6A3
SCHEMBL10990594 0.73 SLC6A4 (0.50) LMNAHTTSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed