SCHEMBL9832018

SCHEMBL9832018

Cn1cc(C#N)c(=O)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 5/20 0.42
GAA P10253 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
IMPDH2 P12268 1/20 0.40
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.33

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
SCHEMBL16872351 0.76 POLB (0.39) POLBMAPTKDM4EGAAALDH1A1
SCHEMBL29142977 0.72 KDM4E (0.48) POLBMAPTKDM4EGAAALDH1A1
SCHEMBL615152 0.69 LMNA (0.47) POLBGAAALDH1A1LMNAHTT
SCHEMBL16882893 0.68 HDAC3 (0.35) ALDH1A1LMNAHTTTSHRSMN1; SMN2
SCHEMBL11112279 0.68 POLB (0.39) POLBMAPTKDM4EGAAALDH1A1
SCHEMBL566202 0.67 GAA (0.43) POLBKDM4EGAAALDH1A1LMNA
SCHEMBL3189250 0.67 TSHR (0.44) KDM4EALDH1A1LMNAKMT2AHTT
SCHEMBL3806350 0.67 ERN1 (0.42) POLBMAPTKDM4EALDH1A1LMNA
SCHEMBL480683 0.67 LMNA (0.39) POLBMAPTKDM4EALDH1A1GLA
SCHEMBL1689852 0.67 LMNA (0.39) POLBKDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117117325-A Lithium ion battery electrolyte and lithium ion battery 江苏天鹏电源有限公司 2023-11-24 CN claimed
CN-117117325-A Lithium ion battery electrolyte and lithium ion battery 江苏天鹏电源有限公司 2023-11-24 CN disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed