SCHEMBL28693197

SCHEMBL28693197

CCC(C)OC(=O)c1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MGAM O43451 1/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CNR2 P34972 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL9944376 0.84 KMT2A (0.69) KMT2ASMN1; SMN2KDM4EMGAMMAPT
SCHEMBL20246308 0.81 ALDH1A1 (0.44) KMT2ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL30253505 0.78 KDM4E (0.64) KMT2ASMN1; SMN2KDM4EMGAMMAPT
SCHEMBL431290 0.78 KDM4E (0.64) KMT2ASMN1; SMN2KDM4EMGAMMAPT
SCHEMBL11814204 0.78 KMT2A (0.61) KMT2ASMN1; SMN2KDM4EMGAMMAPT
SCHEMBL7850497 0.78 GABRA1 (0.51) KMT2ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL1742248 0.76 MGAM (0.58) KMT2ASMN1; SMN2KDM4EMGAMMAPT
SCHEMBL8237398 0.76 MGAM (0.61) SMN1; SMN2KDM4EMGAMMAPTALDH1A1
SCHEMBL30417045 0.76 MGAM (0.61) SMN1; SMN2KDM4EMGAMMAPTALDH1A1
SCHEMBL725183 0.76 MGAM (0.61) KMT2ASMN1; SMN2KDM4EMGAMMAPT

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-113880063-A Aluminum removing method for ferrophosphorus slag after lithium extraction of waste lithium iron phosphate and preparation method of battery-grade ferric phosphate 广东光华科技股份有限公司 2022-01-04 CN disclosed