SCHEMBL21708548

SCHEMBL21708548

CCCC(F)OC(=O)CCC(C#N)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
MAPK1 P28482 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
SCHEMBL21708631 0.89 KMT2A (0.38) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21708707 0.88 CCR1 (0.36) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL21708544 0.87 POLB (0.38) MEN1KMT2ALMNANPSR1
SCHEMBL21708512 0.87 CCR1 (0.36) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL21708588 0.85 FFAR1 (0.34) KMT2AMAPTSMN1; SMN2SLC6A3
SCHEMBL21708473 0.85 CNR2 (0.34) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL21708654 0.85 MEN1 (0.38) MEN1KMT2ALMNAMAPTGAA
SCHEMBL21708466 0.83 F2R (0.36) GAA
SCHEMBL21708459 0.82 CCR1 (0.32) KMT2ALMNA
SCHEMBL8014347 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT

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