SCHEMBL27697209

SCHEMBL27697209

CS(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MCL1 Q07820 1/20 0.43
TLR8 Q9NR97 1/20 0.42
LMNA P02545 2/20 0.41
GPR27 Q9NS67 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL2091752 0.93 CRACR2A (0.41) ALDH1A1HTTPOLBMAPTRAB9A
SCHEMBL27697205 0.86 MEN1 (0.48) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL27717256 0.85 MEN1 (0.47) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL27717099 0.84 MEN1 (0.53) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL27717233 0.84 MAPT (0.52) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL27717098 0.84 TLR8 (0.48) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL27697208 0.83 MEN1 (0.49) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL27717122 0.81 KDR (0.52) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL15000677 0.80 EGFR (0.43) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2094427 0.79 CRACR2A (0.42) ALDH1A1HTTMEN1KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101083985-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2007-12-05 CN claimed
CN-101083985-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2007-12-05 CN disclosed