SCHEMBL8874682

SCHEMBL8874682

O=C1OC(=O)c2c1cnc1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
PDPK1 O15530 1/20 0.39
CA12 O43570 1/20 0.39
PARP1 P09874 1/20 0.39
CA9 Q16790 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ERN1 O75460 1/20 0.39
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 4/20 0.37

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
SCHEMBL9308596 0.76 MAPT (0.52) KDM4ESMN1; SMN2ERN1MAPTNPC1
SCHEMBL459050 0.74 KMT2A (0.44) KDM4EGPR3ALOX15SMN1; SMN2PDPK1
SCHEMBL16895263 0.74 DNMT1 (0.46) KDM4EGPR3SMN1; SMN2MAPTNPC1
SCHEMBL29641696 0.74 KMT2A (0.44) KDM4EGPR3ALOX15SMN1; SMN2PDPK1
SCHEMBL1103721 0.74 MEN1 (0.44) KDM4EGPR3ALOX15SMN1; SMN2PDPK1
SCHEMBL30433945 0.73 CDK4 (0.51) KDM4EGPR3ALOX15TDP1SMN1; SMN2
SCHEMBL5316728 0.73 CDK4 (0.51) KDM4EGPR3ALOX15TDP1SMN1; SMN2
SCHEMBL29262283 0.69 DNMT1 (0.53) KDM4EALOX15TDP1SMN1; SMN2MAPT
SCHEMBL28653656 0.69 ALDH1A1 (0.51) KDM4EGPR3SMN1; SMN2MAPTNPC1
SCHEMBL30292800 0.69 ALDH1A1 (0.51) KDM4EGPR3SMN1; SMN2MAPTNPC1

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
US-5621027-A Dyestuffs for bulk dyeing plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed