SCHEMBL31095391

SCHEMBL31095391

COC(=O)c1cc(N)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
POLB P06746 2/20 0.65
HSD17B10 Q99714 3/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 4/20 0.50
HPGD P15428 3/20 0.47
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CISD2 Q8N5K1 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL20589795 1.00 KDM4E (0.65) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL3361544 0.84 ALDH1A1 (0.61) KDM4EPOLBHSD17B10HPGDALDH1A1
SCHEMBL20588519 0.84 KDM4E (0.49) KDM4EPOLBGAAHPGDALDH1A1
SCHEMBL31095392 0.84 ALDH1A1 (0.61) KDM4EPOLBHSD17B10HPGDALDH1A1
SCHEMBL31095381 0.84 KDM4E (0.49) KDM4EPOLBGAAHPGDALDH1A1
SCHEMBL25218326 0.84 KDM4E (0.49) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL31095594 0.84 KDM4E (0.49) KDM4EPOLBGAAALDH1A1MAPT
SCHEMBL1361427 0.82 KDM4E (0.51) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL30689849 0.82 KDM4E (0.56) KDM4EPOLBHSD17B10USP2GAA
Hydrochloric Acid SCHEMBL27514522 0.82 ALDH1A1 (0.59) KDM4EPOLBHSD17B10USP2HPGD

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
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed