SCHEMBL30171503

SCHEMBL30171503

O=c1ccc2cccc3c4ccccc4n1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
BRPF1 P55201 1/20 0.44
CA9 Q16790 1/20 0.44
KAT2B Q92831 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
HSD17B10 Q99714 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RCE1 Q9Y256 1/20 0.37
DUSP3 P51452 1/20 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
SCHEMBL20022017 0.78 SRC (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL19978059 0.76 ALDH1A1 (0.40) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10967544 0.75 CA12 (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15434837 0.75 ALKBH5 (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL24034725 0.75 ALKBH5 (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12836580 0.75 ALKBH5 (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL20022018 0.75 CYP19A1 (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL21965188 0.75 HPRT1 (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
Canthin-6-One SCHEMBL1515412 0.73 PTPN1 (0.57) KDM4EALDH1A1HPGDKMT2AMEN1
Canthin-6-One SCHEMBL29859553 0.73 PTPN1 (0.57) KDM4EALDH1A1HPGDKMT2AMEN1

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed