SCHEMBL13869983

SCHEMBL13869983

CN(C#N)c1nc(Cl)c(Cc2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL13869988 0.88 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13870025 0.86 MAPT (0.33) ALDH1A1
SCHEMBL13870022 0.85 CACNA1H (0.30)
SCHEMBL4019907 0.85 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL13870026 0.84
SCHEMBL13886801 0.73
SCHEMBL13869998 0.73 MAT2A (0.31)
SCHEMBL13870020 0.73 MAT2A (0.31)
SCHEMBL13886766 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13869999 0.72 POLB (0.38) LMNAALDH1A1

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
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US disclosed