SCHEMBL20076442

SCHEMBL20076442

C=C(Nc1ccc(C)c(C)c1)C1C(c2ccc(F)c(Cl)c2)C1(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
IDH1 O75874 2/20 0.36
SLC2A1 P11166 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC9A1 P19634 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
SCHEMBL21021915 0.86 MEN1 (0.42) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL20076548 0.82 POLB (0.34) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL21021594 0.81 POLB (0.37) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL21021646 0.81 NPC1 (0.35) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL20076590 0.81 SLC9A1 (0.34) SLC9A1
SCHEMBL20076832 0.81 SLC9A1 (0.43) SLC9A1
SCHEMBL20076419 0.78 MEN1 (0.31) MEN1KMT2ASLC9A1
SCHEMBL21022257 0.77 NPC1 (0.31) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21020814 0.77 MEN1 (0.36) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL20076567 0.77 SLC9A1 (0.36) MEN1KMT2AHTTMAPTALDH1A1

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