SCHEMBL8417128

SCHEMBL8417128

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
KLK6 Q92876 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
P2RY1 P47900 1/20 0.32
HSD17B1 P14061 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL8414030 0.83 ALDH1A1 (0.37) KMT2AALDH1A1HPGDATMPTGS1
SCHEMBL8417205 0.81 ERCC1 (0.37) KMT2AALDH1A1ATMPTGS1PTGS2
SCHEMBL31612953 0.64 KMT2A (0.50) KMT2AALDH1A1PTGS1PTGS2MEN1
SCHEMBL8676087 0.64 KMT2A (0.50) KMT2AALDH1A1PTGS1PTGS2MEN1
SCHEMBL8472060 0.64 KMT2A (0.50) KMT2AALDH1A1PTGS1PTGS2MEN1
SCHEMBL6240135 0.63 KMT2A (0.47) KMT2AALDH1A1HTTHPGDPTGS1
SCHEMBL6017451 0.63 KMT2A (0.47) KMT2AALDH1A1HTTPTGS1PTGS2
SCHEMBL11321177 0.63 PTGS1 (0.34) KMT2AALDH1A1HTTHPGDPTGS1
SCHEMBL31517035 0.62 GABRA1 (0.52) KMT2AALDH1A1PTGS1PTGS2MEN1
SCHEMBL1345444 0.62 GABRA1 (0.52) KMT2AALDH1A1PTGS1PTGS2MEN1

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