SCHEMBL29901699

SCHEMBL29901699

COC(=O)c1cc2c(ccn2C2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
THRB P10828 6/20 0.38
HTT P42858 2/20 0.37
PAX8 Q06710 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
HPGD P15428 1/20 0.33
P2RX7 Q99572 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
SCHEMBL29901725 0.82 KDM4E (0.39) ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28834792 0.80 SIRT6 (0.42) SIRT6HTTTDP1ALDH1A1MAPT
SCHEMBL29267729 0.70 SIRT6 (0.47) SIRT6HTTTDP1ALDH1A1MAPT
SCHEMBL28834777 0.69 CNR2 (0.40) SIRT6CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL4677098 0.68 TDP1 (0.49) SIRT6TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28834826 0.67 SIRT6 (0.45) SIRT6THRBHTTTDP1ALDH1A1
SCHEMBL2916543 0.65 MAPT (0.54) SIRT6HTTTDP1CYP2C9CYP2C19
SCHEMBL23578505 0.65 KDM4E (0.47) SIRT6THRBHTTTDP1ALDH1A1
SCHEMBL30184037 0.65 KDM4E (0.47) SIRT6THRBHTTTDP1ALDH1A1
SCHEMBL25624261 0.64 SIRT6 (0.53) SIRT6HTTTDP1ALDH1A1MAPT

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-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed