SCHEMBL20076397

SCHEMBL20076397

C=C(NCC)c1cc(NC(=C)C2C(c3ccc(F)c(Cl)c3)C2(C)Cl)cc(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20076442 0.76 MEN1 (0.38) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL21021915 0.76 MEN1 (0.42) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL20050755 0.74 MEN1 (0.43) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL20076429 0.73
SCHEMBL20076832 0.72 SLC9A1 (0.43)
SCHEMBL20076419 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL20076408 0.71 SLC9A1 (0.36) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL20076386 0.71 SLC9A1 (0.39)
SCHEMBL20076567 0.71 SLC9A1 (0.36) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20076383 0.70 SLC9A1 (0.35)

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