SCHEMBL20006971

SCHEMBL20006971

Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
POLB P06746 1/20 0.70
ALOX12 P18054 1/20 0.63
PTGS2 P35354 2/20 0.62
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 2/20 0.60
EPAS1 Q99814 1/20 0.60
TP53 P04637 1/20 0.58
GHSR Q92847 1/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL12585052 0.79 MAPK1 (0.79) ALDH1A1ALOX12PTGS2KMT2AHPGD
SCHEMBL13501815 0.78 ALDH1A1 (0.84) ALDH1A1ALOX12PTGS2HPGDMAPK1
SCHEMBL13501814 0.78 ALDH1A1 (0.68) ALDH1A1POLBALOX12KMT2AMEN1
SCHEMBL20006965 0.78 TP53 (0.75) ALDH1A1ALOX12PTGS2KMT2AMEN1
SCHEMBL26458890 0.76 KMT2A (1.00) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL20006966 0.76 HPGD (0.67) ALDH1A1POLBALOX12KMT2AMEN1
SCHEMBL20006969 0.75 MAPK1 (0.72) ALDH1A1ALOX12PTGS2HPGDMAPK1
SCHEMBL29058927 0.75 EPAS1 (1.00) ALDH1A1POLBPTGS2KMT2AMEN1
SCHEMBL16592641 0.74 GRM4 (0.81) SMN1; SMN2
SCHEMBL14028267 0.74 ALDH1A1 (0.62) ALDH1A1POLBALOX12KMT2AMEN1

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-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 WO disclosed