SCHEMBL21708770

SCHEMBL21708770

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 5/20 0.35
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL21708612 0.93 TAS1R3 (0.32) KMT2AL3MBTL1MEN1
SCHEMBL21708613 0.92 TAS1R3 (0.33) PTGFR
SCHEMBL21708602 0.90 SMN1; SMN2 (0.33) PTGFRKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL21708615 0.87 PTGFR (0.35) PTGFRKMT2AMEN1
SCHEMBL21708507 0.86 PTGFR (0.33) PTGFRKMT2AMEN1
SCHEMBL21708481 0.85 GAA (0.32) PTGFRL3MBTL1
SCHEMBL21708491 0.85 PTGFR (0.37) PTGFR
SCHEMBL21708580 0.85 KMT2A (0.34) KMT2AHPGDALDH1A1MEN1LMNA
SCHEMBL21708464 0.84 PTGFR (0.35) PTGFRALDH1A1L3MBTL1KDM4E
SCHEMBL21708792 0.82 TAS1R3 (0.33) KMT2AMEN1LMNA

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