SCHEMBL21709050

SCHEMBL21709050

CCCC(F)OC(=O)CC(C#N)c1ccccc1OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
HCRTR1 O43613 2/20 0.36
PPARG P37231 3/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21708731 0.92 POLB (0.41) KMT2AMEN1L3MBTL1PPARGTSHR
SCHEMBL21708650 0.88 KCNK3 (0.36) L3MBTL1HCRTR1PPARGHTTGAA
SCHEMBL21708631 0.86 KMT2A (0.38) KMT2AMEN1GAASMN1; SMN2
SCHEMBL21708675 0.85 CCR1 (0.37) KMT2AMEN1KDM4ECYP1A2CYP2C9
SCHEMBL21708746 0.83 CNR2 (0.34) KMT2AKDM4ECYP1A2CYP2C9PPARG
SCHEMBL21708544 0.81 POLB (0.38) KMT2AMEN1L3MBTL1PPARGTSHR
SCHEMBL21708711 0.81 KMT2A (0.39) KMT2AKDM4EL3MBTL1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21708730 0.79 CTDSP1 (0.36) KMT2AMEN1KDM4ECTDSP1L3MBTL1
SCHEMBL21631933 0.79 L3MBTL1 (0.51) KMT2AMEN1KDM4ECTDSP1CYP1A2
SCHEMBL21656178 0.78 L3MBTL1 (0.39) KMT2AMEN1KDM4ECTDSP1CYP1A2

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