SCHEMBL30310723

SCHEMBL30310723

COC(=O)c1cc2ccc(Cl)c(F)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.47
EIF4A3 P38919 1/20 0.46
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
ALPL P05186 5/20 0.43
ABL1 P00519 4/20 0.42
SRC P12931 4/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL7673791 1.00 XDH (0.47) XDHEIF4A3CDK1CCNB1ALPL
SCHEMBL4041607 0.85 CDK1 (0.61) EIF4A3CDK1CCNB1ALPLGLA
SCHEMBL8959558 0.82 XDH (0.47) XDHEIF4A3CDK1CCNB1ALPL
SCHEMBL24019964 0.82 ALOX15 (0.58) EIF4A3CDK1CCNB1ALPLMAPT
SCHEMBL30310477 0.81 EIF4A3 (0.61) EIF4A3MAPT
SCHEMBL7677228 0.81 EIF4A3 (0.61) EIF4A3MAPT
SCHEMBL24740100 0.79 ALOX15 (0.58) EIF4A3CDK1CCNB1MAPTALOX15
SCHEMBL16236158 0.79 HRH4 (0.56) XDHCDK1CCNB1ABL1SRC
SCHEMBL3544290 0.79 RHEB (0.47) CYP1A2MAPT
SCHEMBL21235447 0.78 XDH (0.55) XDHEIF4A3ALPLABL1SRC

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-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed