SCHEMBL17935513

SCHEMBL17935513

O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ EPHX1 P07099 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ CDC25C P30307 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46

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
SCHEMBL17935540 0.82 LMNA (0.57) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17935541 0.82 LMNA (0.60) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17925437 0.79 KMT2A (0.63) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17925451 0.77 LMNA (0.53) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17925446 0.77 LMNA (0.54) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL1514657 0.76 LMNA (0.67) LMNATP53SMN1; SMN2RAB9AEPHX2
SCHEMBL17925430 0.76 LMNA (0.55) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17925450 0.76 LMNA (0.53) LMNATP53SMN1; SMN2RAB9AADORA3
SCHEMBL17935512 0.75 LMNA (0.79) LMNATP53SMN1; SMN2RAB9AMAPT
SCHEMBL10084544 0.74 LMNA (0.71) LMNATP53SMN1; SMN2RAB9AADORA3

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
WO-2016112513-A1 COMPOUNDS AND METHODS FOR INDUCING MESENCHYMAL STEM CELLS INTO CHONDROCYTES GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-21 — — WO disclosed
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