SCHEMBL28446992

SCHEMBL28446992

CNC1CCCc2cc(OC)cc(OC)c21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
DRD1 P21728 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
ATM Q13315 1/20 0.41
FKBP1A P62942 4/20 0.37
ACHE P22303 1/20 0.37
MAP2K3 P46734 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
SCHEMBL9521320 0.78 KDM4C (0.55) PARP1KMT2AMEN1DRD1KDM4C
SCHEMBL9150411 0.77 ACHE (0.52) KMT2AMEN1ACHE
SCHEMBL22914896 0.76 KDM4C (0.50) PARP1KMT2AMEN1DRD1KDM4C
SCHEMBL27536254 0.76 PARP1 (0.49) PARP1KMT2AMEN1DRD1KDM4C
SCHEMBL17361560 0.75 KDM4C (0.49) PARP1KMT2AMEN1DRD1KDM4C
SCHEMBL16254293 0.74 TAS1R3 (0.54) KMT2AMEN1ATM
Hydrochloric Acid SCHEMBL10838684 0.72 KDM1A (0.35) PARP1KMT2AMEN1KDM4C
SCHEMBL28458143 0.70 KDM4C (0.43) KMT2AMEN1KDM4C
SCHEMBL19943971 0.70 ABCB1 (0.45) PARP1KMT2AMEN1
SCHEMBL28447485 0.69 DRD5 (0.45) KMT2AMEN1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
CN-111909083-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-11-10 CN disclosed
CN-106660982-B Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-09-08 CN disclosed