SCHEMBL14401044

SCHEMBL14401044

O=C(CNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC(=O)NCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 12/20 0.36
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL13177607 0.80 KIF11 (0.44) KIF11
SCHEMBL16291371 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL10503169 0.77 KIF11 (0.42) KIF11
SCHEMBL17245967 0.77 KIF11 (0.43) KIF11ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10046710 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL16307189 0.71 KIF11 (0.48) KIF11
SCHEMBL6574289 0.71 KIF11 (0.43) KIF11POLB
SCHEMBL10675433 0.71 KIF11 (0.54) KIF11
SCHEMBL1364085 0.71 KIF11 (0.49) KIF11ALDH1A1POLB
SCHEMBL5580633 0.71 KIF11 (0.50) KIF11

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-7285529-B2 Embedder compositions and methods for detecting and killing cells in acidic areas of tumors GENE TOOLS, LLC (US) 2007-10-23 US disclosed