SCHEMBL6137799

SCHEMBL6137799

Cc1cc(I)ccc1Nc1c(OC(=O)O)cc2ncsc2c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.35
MAP2K1 Q02750 7/20 0.35
MAP2K2 P36507 2/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
FLT1 P17948 1/20 0.32
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
CAMK2B Q13554 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL27478877 0.92 MEN1 (0.38) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL5988267 0.85 IDO1 (0.52) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6138125 0.84 IDO1 (0.41) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL5989895 0.83 MEN1 (0.45) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL27478878 0.82 PTGS2 (0.41) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL5989308 0.81 MEN1 (0.45) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137984 0.80 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL6137927 0.80 IDO1 (0.40) IDO1MEN1KMT2ATDP1MAPK1
SCHEMBL27478477 0.78 CSF1R (0.41) MEN1KMT2ACSF1RNPC1RAB9A
SCHEMBL6137796 0.78 IDO1 (0.42) IDO1MEN1KMT2ATDP1MAPK1

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-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP claimed