SCHEMBL3123391

SCHEMBL3123391

Nc1cc(-c2ccc(NC(=O)CCc3ccccc3)cc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.60
TOP2B Q02880 1/20 0.60
LMNA P02545 1/20 0.58
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
ROCK2 O75116 2/20 0.57
PLAU P00749 1/20 0.56
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
WNT3A P56704 1/20 0.53
CIT O14578 1/20 0.52
RAB9A P51151 1/20 0.51
NPY5R Q15761 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ROCK1 Q13464 1/20 0.51
GHSR Q92847 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL4530179 0.83 LMNA (0.83) TOP2ATOP2BLMNAMAPTHTT
SCHEMBL3118874 0.82 MGLL (0.61) MAPTROCK2TSHRWNT3ACIT
SCHEMBL13356363 0.81 MAPT (0.80) TOP2ATOP2BLMNAMAPTHTT
SCHEMBL3127087 0.81 ROCK2 (0.73) MAPTHTTROCK2CITRAB9A
SCHEMBL10198474 0.77 MAPT (0.77) LMNAMAPTHTTPLAUGAA
SCHEMBL28551231 0.76 MAPT (0.71) TOP2ATOP2BLMNAMAPTHTT
SCHEMBL30134465 0.76 MAPT (0.64) LMNAMAPTHTTPLAUGAA
SCHEMBL29040342 0.75 TOP2A (1.00) TOP2ATOP2BLMNAMAPTHTT
SCHEMBL3061430 0.75 MAPT (1.00) LMNAMAPTHTTGAATSHR
SCHEMBL2203781 0.74 LMNA (1.00) LMNAMAPTHTTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed