SCHEMBL30705376

SCHEMBL30705376

COc1ccc(CN(C(=O)OC(C)(C)C)c2cccnc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 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
SCHEMBL3834868 0.80 POLB (0.37) POLBKDM4EALDH1A1HPGDTSHR
SCHEMBL1266597 0.76 KDM4E (0.40) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL1266596 0.76 KDM4E (0.40) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL28240511 0.76 GAA (0.42) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL15624358 0.76 KMT2A (0.55) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL28609083 0.76 HTT (0.51) KDM4EALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL692935 0.76 GAA (0.43) POLBKDM4EALDH1A1TSHRKDM4C
SCHEMBL26856392 0.76 ALDH1A1 (0.40) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL30672325 0.76 ALDH1A1 (0.40) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL692452 0.75 GAA (0.43) POLBKDM4EALDH1A1TSHRSMN1; SMN2

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-117098765-A Heterocyclic derivatives as Janus kinase inhibitors 奇斯药制品公司 2023-11-21 CN disclosed