SCHEMBL21708602

SCHEMBL21708602

CCCC(F)OC(=O)CC(CN)c1c(F)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PTGFR P43088 5/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL21708792 0.93 TAS1R3 (0.33) TSHRKMT2AMEN1
SCHEMBL21708770 0.90 PTGFR (0.35) SMN1; SMN2PTGFRALDH1A1L3MBTL1KDM4E
SCHEMBL21708747 0.85 TAS1R3 (0.36) SMN1; SMN2PTGFRL3MBTL1TSHRKMT2A
SCHEMBL21708612 0.82 TAS1R3 (0.32) L3MBTL1KMT2AMEN1
SCHEMBL21708646 0.82 NISCH (0.37) ALDH1A1L3MBTL1KDM4ETSHRHPGD
SCHEMBL21708613 0.81 TAS1R3 (0.33) PTGFR
SCHEMBL21708449 0.81 RIPK1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL21656205 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL21708787 0.78 HPGD (0.39) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL21631976 0.76 GABBR2 (0.50) PTGFRKDM4ETSHRITGB2ICAM1

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
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed