SCHEMBL8414030

SCHEMBL8414030

COC(=O)C(C)c1ccccc1-n1nc(C)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
WNT3A P56704 1/20 0.33
ATM Q13315 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
CTSA P10619 2/20 0.32
MME P08473 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL8417205 0.84 ERCC1 (0.37) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL8417128 0.83 KMT2A (0.35) ALDH1A1KMT2AHPGDMEN1PTGS1
SCHEMBL9052724 0.75 KMT2A (0.43) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL6017451 0.70 KMT2A (0.47) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL9119609 0.69 CDK4 (0.50) ALDH1A1SMN1; SMN2PKMKDM4ELMNA
SCHEMBL4160190 0.67 KMT2A (0.44) ALDH1A1KMT2AHPGDMEN1PTGS1
SCHEMBL20921259 0.67 KMT2A (0.44) ALDH1A1KMT2AHPGDMEN1PTGS1
SCHEMBL6240135 0.66 KMT2A (0.47) ALDH1A1KMT2AHPGDMEN1PTGS1
SCHEMBL8386511 0.66 HCAR1 (0.47) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL11321177 0.66 PTGS1 (0.34) ALDH1A1KMT2AHPGDMEN1PTGS1

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed