SCHEMBL29070876

SCHEMBL29070876

COC(=O)c1ncc(Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
NR4A2 P43354 2/20 0.43
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
ELANE P08246 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
PDE5A O76074 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL20944057 0.81 KDM4E (0.49) KDM4ESTAT3HIF1APLAUF2
SCHEMBL7279246 0.81 MAPT (0.52) KDM4ESTAT3HIF1ANR4A2MAPT
SCHEMBL31410088 0.81 PLAU (0.45) KDM4EPLAUMAPTALDH1A1LMNA
SCHEMBL22116876 0.80 KDM4E (0.47) KDM4ESTAT3HIF1ANR4A2PLAU
SCHEMBL754063 0.79 ATM (0.46) KDM4EPLAUMAPTALDH1A1CYP1A2
SCHEMBL7288685 0.79 SMN1; SMN2 (0.53) KDM4ESTAT3HIF1APLAUF2
SCHEMBL22116806 0.78 KDM4E (0.45) KDM4ESTAT3HIF1ANR4A2PLAU
SCHEMBL28584809 0.76 ALDH1A1 (0.49) KDM4EPLAUALDH1A1LMNAPOLB
SCHEMBL23580382 0.75 NR4A2 (0.43) KDM4ESTAT3HIF1ANR4A2MAPT
SCHEMBL1493848 0.75 DYRK1A (0.43) KDM4EMAPTALDH1A1CYP1A2CYP2C19

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
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed