SCHEMBL17861335

SCHEMBL17861335

CC(=O)NCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TRPV1 Q8NER1 4/20 0.42
▸ ACACB O00763 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GCGR P47871 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL16137235 0.93 SLC6A5 (0.41) SMN1; SMN2LTA4HEPHX2MAPTLMNA
SCHEMBL16112776 0.91 LTA4H (0.46) LTA4HEPHX2MAPTLMNATRPV1
SCHEMBL16137272 0.90 LTA4H (0.43) LTA4HEPHX2MAPTLMNATRPV1
SCHEMBL20089809 0.90 LTA4H (0.43) LTA4HEPHX2MAPTLMNATRPV1
SCHEMBL16029947 0.89 P2RY14 (0.41) LTA4HEPHX2MAPTLMNATRPV1
SCHEMBL17469941 0.86 HDAC1 (0.40) LTA4HEPHX2MAPTLMNATRPV1
SCHEMBL16040247 0.86 PRMT1 (0.39) MAPTLMNATP53GCGRHDAC1
SCHEMBL23803480 0.85 S1PR1 (0.39) MAPTADORA3TP53GCGRHDAC1
SCHEMBL16041239 0.85 CHRNA7 (0.39) MAPTADORA3TP53HDAC1HDAC6
SCHEMBL16041042 0.84 TP53 (0.41) SMN1; SMN2MAPTADORA3KMT2ATP53

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-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 — — WO disclosed
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