SCHEMBL21708708

SCHEMBL21708708

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
PTGFR P43088 2/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21708773 0.92 TAS1R3 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL21708725 0.83 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ALMNAMEN1TAAR1
SCHEMBL21708691 0.81 LMNA (0.36) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL21656361 0.79 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPTGFRPOLBTAAR1
SCHEMBL21708779 0.79 NPC1 (0.33) KMT2APTGFRALDH1A1TDP1GAA
SCHEMBL21631949 0.76 PTGFR (0.43) SMN1; SMN2KMT2ALMNAPTGFRTAAR1
SCHEMBL21708771 0.75 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL21708674 0.74 ADRB2 (0.33) KMT2ALMNAMEN1TAS1R3TAS1R1
SCHEMBL21708655 0.72 MEN1 (0.38) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL21656189 0.69 CTSS (0.33)

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