SCHEMBL30899996

SCHEMBL30899996

CCOC(=O)c1nn(C2CCCCO2)c(C)c1NC(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
HPGD P15428 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 3/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL30133858 0.90 TSHR (0.40) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16100241 0.81 ELANE (0.38) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL20517501 0.81 MAPT (0.38) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL31622731 0.81 ELANE (0.38) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL30133793 0.81 GAA (0.42) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16100242 0.81 ELANE (0.38) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL30900043 0.80 CYP1A2 (0.34) HPGDCYP1A2TSHRALDH1A1KDM4E
SCHEMBL30900034 0.80 GAA (0.34) RAB9AHPGDCYP1A2NPC1TSHR
SCHEMBL30134356 0.77 MAPT (0.39) HPGDTSHRELANEALDH1A1SMN1; SMN2
SCHEMBL30133959 0.76 ELANE (0.38) RAB9AHPGDCYP1A2CYP2C9CYP2C19

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-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed