SCHEMBL22452263

SCHEMBL22452263

Cc1c(F)ccc(CNCCNC(=O)OC(C)(C)C)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
IDO1 P14902 4/20 0.40
RPS6KA1 Q15418 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.37
NQO2 P16083 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CDK2 P24941 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19085509 0.88 RPS6KA1 (0.47) IDO1RPS6KA1CA1CA2CA12
SCHEMBL22452384 0.82 PDCD1 (0.43) PDCD1CD274IDO1MALT1TDP1
SCHEMBL22604986 0.81 IDO1 (0.38) PDCD1CD274IDO1MALT1TDP1
SCHEMBL18198091 0.81 RIPK1 (0.50) IDO1MALT1BCHENQO2MEN1
SCHEMBL26599167 0.79 LMNA (0.44) PDCD1CD274IDO1RPS6KA1MALT1
SCHEMBL26599039 0.79 NQO2 (0.44) PDCD1CD274IDO1RPS6KA1MALT1
SCHEMBL30606607 0.79 LMNA (0.44) PDCD1CD274IDO1RPS6KA1MALT1
SCHEMBL337290 0.78 IDO1 (0.39) PDCD1CD274IDO1MALT1TDP1
SCHEMBL29467981 0.78 RPS6KA1 (0.42) IDO1RPS6KA1TDP1NQO2CA1
SCHEMBL4708240 0.78 IDO1 (0.50) IDO1MEN1KMT2A

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
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO disclosed