SCHEMBL21708449

SCHEMBL21708449

CCCC(F)OC(=O)CC(C#N)c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
ATM Q13315 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
SCHEMBL21708751 0.93 KMT2A (0.33) RIPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL21708723 0.90 RIPK1 (0.36) RIPK1ALDH1A1GAALMNAHPGD
SCHEMBL21708781 0.86 KMT2A (0.39) L3MBTL1KMT2ASMN1; SMN2
SCHEMBL21708675 0.83 CCR1 (0.37) ALDH1A1GAALMNAHPGDKDM4E
SCHEMBL21708518 0.83 TAS1R3 (0.32) L3MBTL1KMT2AMEN1
SCHEMBL21708545 0.81 KMT2A (0.33) KMT2A
SCHEMBL21708602 0.81 SMN1; SMN2 (0.33) ALDH1A1HPGDL3MBTL1KDM4ETP53
SCHEMBL21656297 0.79 RIPK1 (0.39) RIPK1ALDH1A1GAALMNAHPGD
SCHEMBL21708777 0.79 KMT2A (0.38) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL21631984 0.77 KDM4E (0.44) RIPK1ALDH1A1GAALMNAHPGD

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