SCHEMBL4352723

SCHEMBL4352723

Cc1nc(C(F)F)c(C(=O)Nc2cc(I)ccc2-c2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
NTRK1 P04629 2/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 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
SCHEMBL13064249 0.88 TSHR (0.50) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL1044642 0.87 MAPT (0.45) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL1877272 0.87 NTRK1 (0.49) RAB9ARECQLMEN1KMT2AMAPT
SCHEMBL13210721 0.81 NTRK1 (0.43) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL343339 0.80 TDP1 (0.47) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL13210713 0.80 MAPT (0.41) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL29437136 0.80 MAPT (0.41) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL167980 0.80 MAPT (0.41) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL2911307 0.79 RAB9A (0.46) RAB9ARECQLMEN1KMT2AHTT
SCHEMBL13210784 0.79 KMT2A (0.42) RAB9AMEN1KMT2AHTTGAA

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
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP disclosed