SCHEMBL30810218

SCHEMBL30810218

CCCCCCOc1ccc(C[C@@H](COCC)n2cnc3cnc4ccccc4c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
TLR7 Q9NYK1 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL22734411 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL30810166 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734446 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734444 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734402 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL30810203 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734400 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734412 1.00 ITGB1 (0.41) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734470 0.97 ITGB1 (0.39) ITGB1ITGA4TLR7SMN1; SMN2LMNA
SCHEMBL22734471 0.97 ITGB1 (0.39) ITGB1ITGA4TLR7SMN1; SMN2LMNA

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-111788202-B Substituted imidazo [4,5-c ] quinoline compounds with N-1 branched groups 3M创新有限公司 2024-03-01 CN disclosed