SCHEMBL9566272

SCHEMBL9566272

O=C(/C=C/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)Nc1nncs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NR3C1 P04150 2/20 0.34
PGR P06401 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL8846166 0.85 RAB9A (0.47) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL9188292 0.80 MAOB (0.41) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9196128 0.79 EGFR (0.42) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9190860 0.78 MMP1 (0.39) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL9193683 0.78 MMP1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL27447172 0.78 MMP1 (0.39) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL9566085 0.77 RAB9A (0.45) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8846200 0.77 AKR1C3 (0.32)
SCHEMBL9190956 0.77 MMP1 (0.40) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL9191694 0.77 MMP1 (0.40) NPC1RAB9AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 EP claimed