SCHEMBL29280577

SCHEMBL29280577

Nc1ccc2c(c1)C(C1CC1)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 7/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
PTPRC P08575 2/20 0.38
POLB P06746 2/20 0.38
BLM P54132 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL29727936 1.00 LMNA (0.42) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL286932 0.76 ALDH1A1 (0.37) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL29727938 0.75 ALDH1A1 (0.41) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL30512980 0.72 ALDH1A1 (0.39) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL29606965 0.71 GAA (0.41) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL6858422 0.71 ALDH1A1 (0.38) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL29727935 0.71 ALDH1A1 (0.42) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL29727942 0.71 TSHR (0.40) LMNAMAPTGAAALDH1A1NPC1
SCHEMBL29558777 0.69 ALDH1A1 (0.47) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL6585668 0.69 ALDH1A1 (0.36) LMNAMAPTGAAALDH1A1NPC1

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-114751899-B Diaryl urea mTOR kinase inhibitor, and pharmaceutical composition and application thereof 贵州医科大学 2024-03-29 CN disclosed