SCHEMBL19982710

SCHEMBL19982710

N#C/C=C/C(=O)N1CCc2ccc(Cl)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HPGD P15428 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NOTUM Q6P988 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B3 P37058 2/20 0.41
BCHE P06276 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL19974957 0.83 MAPT (0.54) MEN1KMT2AMAPTTAAR1TAS1R3
SCHEMBL30062957 0.83 MAPT (0.54) MEN1KMT2AMAPTTAAR1TAS1R3
SCHEMBL29357750 0.80 CCNK (0.53) MEN1KMT2AMAPTTAAR1TAS1R3
SCHEMBL7697763 0.80 CCNK (0.53) MEN1KMT2AMAPTTAAR1TAS1R3
SCHEMBL13623452 0.76 ESR1 (0.50) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL29390456 0.76 ESR1 (0.50) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL8221038 0.75 NOTUM (0.63) TAS1R3TAS1R1TAS1R2ESR1ESR2
SCHEMBL10802449 0.72 HDAC8 (0.50) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL2821470 0.71 ESR1 (0.76) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL29989790 0.71 ESR1 (0.76) MEN1KMT2ATAS1R3TAS1R1TAS1R2

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
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed