SCHEMBL21708482

SCHEMBL21708482

CCCC(F)OC(=O)CCC(C#N)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CHRNA7 P36544 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MAPT P10636 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
SCHEMBL21708588 0.90 FFAR1 (0.34) KMT2AFFAR1FFAR4MAPT
SCHEMBL21708569 0.90 KMT2A (0.33) KMT2AFFAR1FFAR4
SCHEMBL21708737 0.86 CES2 (0.33) CES2CES1
SCHEMBL21708707 0.86 CCR1 (0.36) CES2CES1KMT2A
SCHEMBL21708593 0.81 CES2 (0.34) CES2CES1FFAR1FFAR4CHRNA7
SCHEMBL21708512 0.81 CCR1 (0.36) KMT2A
SCHEMBL21708544 0.81 POLB (0.38) KMT2A
SCHEMBL21708678 0.80
SCHEMBL21656405 0.80 NR3C2 (0.36) CES2CES1KMT2A
SCHEMBL21708545 0.80 KMT2A (0.33) CES2CES1KMT2A

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