SCHEMBL21554150

SCHEMBL21554150

CCCC(=O)c1sccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 3/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15988689 0.81 IDO1 (0.43) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL5868810 0.78 LMNA (0.45) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL506452 0.77 KDM4E (0.41) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL4949422 0.74 LMNA (0.43) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL12622649 0.74 POLB (0.52) MAPTKDM4EKMT2AMEN1RAB9A
SCHEMBL16919016 0.74 GSK3B (0.41) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL3056218 0.73 KDM4E (0.42) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL24577695 0.70 LMNA (0.39) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL17257563 0.68 KMT2A (0.38) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL17257561 0.68 KMT2A (0.38) GAAMAPTKDM4EKMT2AMEN1

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-2782565-B1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER IP GMBH (DE) 2019-11-06 EP disclosed