SCHEMBL28896261

SCHEMBL28896261

CCOC(=O)c1[nH]ccc1NC(CN)COCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
KMT2A Q03164 1/20 0.33
NUDT1 P36639 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR6 P50406 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL29211269 0.87 KMT2A (0.34) KDM4ENPSR1KMT2ANUDT1SMN1; SMN2
SCHEMBL28896498 0.83 SYK (0.38) KDM4ENPSR1PLA2G2CPOLBLMNA
SCHEMBL28896263 0.82 SMN1; SMN2 (0.33) KDM4EKMT2ANUDT1SMN1; SMN2POLB
SCHEMBL28896836 0.80 SMN1; SMN2 (0.36) KDM4ENPSR1KMT2ASMN1; SMN2POLB
SCHEMBL28896573 0.79 KDM4E (0.34) KDM4ENPSR1JAK2JAK3KMT2A
SCHEMBL28896250 0.77 PTGER4 (0.38) KDM4ENPSR1JAK2JAK3KMT2A
SCHEMBL28896270 0.74 SMN1; SMN2 (0.38) KDM4ENPSR1KMT2ANUDT1SMN1; SMN2
SCHEMBL24958271 0.72 SMN1; SMN2 (0.44) KDM4EKMT2ANUDT1SMN1; SMN2LMNA
SCHEMBL4200796 0.71 ALDH1A1 (0.45) KDM4EKMT2ANUDT1SMN1; SMN2LMNA
SCHEMBL28896575 0.71 LMNA (0.33) KDM4EKMT2ANUDT1SMN1; SMN2POLB

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-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed