SCHEMBL30701976

SCHEMBL30701976

COC(=O)CCc1cncc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
DDO Q99489 1/20 0.40
TBXAS1 P24557 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22186888 1.00 HDAC1 (0.42) HDAC1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL24952236 0.83 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1KDM4ELMNA
SCHEMBL30202942 0.83 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1KDM4ELMNA
SCHEMBL1532963 0.82 HSP90AB1 (0.47) HDAC1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL3931688 0.81 CYP11B1 (0.48) CYP11B1CYP11B2ALDH1A1KDM4ELMNA
SCHEMBL21476653 0.81 CYP11B1 (0.41) HDAC1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL751036 0.81 CYP11B1 (0.48) CYP11B1CYP11B2KDM4EKMT2ATBXAS1
SCHEMBL22364153 0.80 HDAC1 (0.45) HDAC1CYP11B1CYP11B2SIRT2CCNC
SCHEMBL21475991 0.78 CYP11B1 (0.39) HDAC1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL7013456 0.78 CYP11B1 (0.46) HDAC1CYP11B1CYP11B2ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed