SCHEMBL30558295

SCHEMBL30558295

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC12CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
JAK3 P52333 2/20 0.42
RET P07949 1/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
MET P08581 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL20838955 1.00 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL27031050 1.00 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL4828517 0.89 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL18186271 0.84 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL9068219 0.84 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL6675465 0.84 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL20839065 0.83 JAK3 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAJAK3
SCHEMBL20838957 0.83 JAK3 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAJAK3
SCHEMBL30558294 0.83 JAK3 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAJAK3
SCHEMBL30558296 0.83 JAK3 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAJAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005654-A Substituted pyridopyrimidinone compounds, compositions containing the same and uses thereof 深圳市塔吉瑞生物医药有限公司 2024-05-10 CN disclosed
CN-117050096-A Preparation method of risperidone 杭州诺澳生物医药科技有限公司 2023-11-14 CN disclosed
CN-117015546-A Process for preparing Li Sipu blue 豪夫迈·罗氏有限公司 2023-11-07 CN disclosed
CN-111132981-B Process for preparing pyrido [1,2-A ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-10-31 CN disclosed
CN-116813648-A Process for preparing 2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed