SCHEMBL20076601

SCHEMBL20076601

C=C(Nc1ccc(F)c(N)c1F)c1cc(NC(=C)C2C(c3ccc(C)cc3)C2(C)C)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC9A1 P19634 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL21021581 0.81 FADS1 (0.31) LMNAMEN1NPC1HTTRAB9A
SCHEMBL21022250 0.81 BRAF (0.31)
SCHEMBL21020721 0.81 SLC9A1 (0.36) LMNAMEN1NPC1HTTRAB9A
SCHEMBL21022030 0.80 BACE1 (0.33)
SCHEMBL20076750 0.80 SLC9A1 (0.35) MEN1KMT2ASLC9A1NPSR1MAPT
SCHEMBL20076423 0.79 KDM4E (0.41) LMNAMEN1NPC1HTTRAB9A
SCHEMBL21021635 0.79 SLC9A1 (0.30) NPC1RAB9ASMN1; SMN2SLC9A1
SCHEMBL20076630 0.78
SCHEMBL21021436 0.75 HTT (0.37) LMNAMEN1NPC1HTTRAB9A
SCHEMBL20076412 0.75 HTT (0.33) LMNAMEN1HTTKMT2A

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed