SCHEMBL25840704

SCHEMBL25840704

O=C(NCCNC(=O)c1cc(=O)c2c(O)cccc2o1)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 2/20 0.63
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IP6K2 Q9UHH9 1/20 0.48
AR P10275 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL25260710 0.82 POLH (0.72) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL30663840 0.78 POLH (1.00) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL25263266 0.78 POLH (1.00) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL25307372 0.75 ABCG2 (0.67) MEN1MAPTKMT2A
SCHEMBL19745225 0.75 HTR2B (0.57) POLHMEN1MAPTKMT2AAR
SCHEMBL21174972 0.74 POLH (0.54) POLHMEN1ALOX5KMT2A
SCHEMBL8121953 0.72 AR (0.62) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL2773475 0.72 KDM4E (0.60) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL25308060 0.71 POLH (0.60) POLHKDM4EMEN1CYP3A4ALOX5
SCHEMBL24248100 0.71 POLH (0.56) POLHMEN1CYP3A4MAPTALOX15

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
EP-4215522-A1 DERIVATIVES OF 4-CHROMONE AS INHIBITORS OF THE RDRP POLYMERASE OF SARS-COV-2 VIRUS AND METHOD FOR THE PREPARATION THEREOF Fondazione Istituto Italiano di Tecnologia (IT) 2023-07-26 EP disclosed