SCHEMBL29901246

SCHEMBL29901246

COCCOc1nccc(C(=O)OC)c1NC(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
BDKRB1 P46663 16/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM4 Q14833 1/20 0.40
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL28655848 0.73 HSD17B10 (0.63) KDM4EALDH1A1HSD17B10BDKRB1MEN1
SCHEMBL27096399 0.73 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10BDKRB1MEN1
SCHEMBL20870310 0.72 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10BDKRB1MEN1
SCHEMBL31488397 0.69 HSD17B10 (1.00) KDM4EALDH1A1HSD17B10BDKRB1MEN1
SCHEMBL26656442 0.68 BDKRB1 (0.36) KDM4EALDH1A1HSD17B10BDKRB1MEN1
SCHEMBL30101854 0.68 BDKRB1 (0.49) HSD17B10BDKRB1JAK1JAK3
SCHEMBL22225237 0.67 HSD17B10 (0.51) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31469807 0.66 KDM4E (0.61) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28378376 0.65 BDKRB1 (0.53) HSD17B10BDKRB1
SCHEMBL22275075 0.65 HSD17B10 (0.63) KDM4EALDH1A1HSD17B10BDKRB1MEN1

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-111658653-B Use of phosphodiesterase inhibitors 药捷安康(南京)科技股份有限公司 2022-09-09 CN disclosed