SCHEMBL25263149

SCHEMBL25263149

COc1ccc(NC(=S)NCCNC(=O)c2cc(=O)c3c(OC)cccc3o2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.61
ABCB1 P08183 1/20 0.58
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 1/20 0.52
ACHE P22303 1/20 0.51
MAPT P10636 3/20 0.51
NAMPT P43490 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 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
SCHEMBL25308135 0.86 KMT2A (0.69) ABCG2ABCB1KMT2AMEN1RAB9A
SCHEMBL30663838 0.86 KMT2A (0.69) ABCG2ABCB1KMT2AMEN1RAB9A
SCHEMBL25307372 0.84 ABCG2 (0.67) ABCG2ABCB1KMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL25306301 0.79 ABCG2 (0.63) ABCG2ABCB1ACHEMAPTNAMPT
SCHEMBL5277697 0.78 ABCG2 (0.62) ABCG2ABCB1ACHEMAPTHTT
SCHEMBL25260710 0.78 POLH (0.72) ABCB1KMT2AMEN1RAB9AMAPT
SCHEMBL5277304 0.76 ABCG2 (0.59) ABCG2ABCB1ACHEMAPTHTT
SCHEMBL7896281 0.74 ALDH1A1 (0.57) ABCG2ABCB1KMT2AMEN1RAB9A
SCHEMBL4972062 0.73 KMT2A (0.81) ABCB1KMT2AMEN1RAB9AMAPT
SCHEMBL30506423 0.72 ALDH1A1 (0.58) ABCG2ABCB1KMT2AMEN1RAB9A

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