SCHEMBL19993496

SCHEMBL19993496

C=C/C(=C\C)c1cc(C(=C)N)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
LMNA P02545 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19993497 0.80 HDAC8 (0.39) MAPT
SCHEMBL19087174 0.78
SCHEMBL19993538 0.75 MAPK14 (0.34)
SCHEMBL12824890 0.73 PRSS1 (0.64) PRSS1PRSS2PRSS3LMNAGFER
SCHEMBL19993495 0.72 NNMT (0.37) LMNAL3MBTL1MAPTTDP1
SCHEMBL26311730 0.72 PRSS1 (0.34) PRSS1PRSS2PRSS3
SCHEMBL19993530 0.71 MAPK14 (0.49)
SCHEMBL25085750 0.69 TDP1 (0.40) KMT2ATDP1
SCHEMBL13636369 0.69 TDP1 (0.61) PRSS1PRSS2PRSS3LMNAGFER
SCHEMBL23592021 0.69 TSHR (0.50) PRSS1PRSS2PRSS3LMNAGFER

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
WO-2018052772-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed