SCHEMBL9056992

SCHEMBL9056992

Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3csc(C)n3)c2)C2CCCCCC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
PRMT6 Q96LA8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
NTRK1 P04629 1/20 0.40
HTT P42858 1/20 0.40
RHOA P61586 2/20 0.40
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ROCK2 O75116 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8807120 0.84 GAA (0.48) GAANPSR1MAPTALDH1A1ROCK2
SCHEMBL9056291 0.83 ROCK2 (0.43) SMN1; SMN2GAANPSR1MAPTNTRK1
SCHEMBL8809317 0.83 ROCK2 (0.43) SMN1; SMN2GAANPSR1MAPTNTRK1
SCHEMBL8807169 0.82 ROCK2 (0.42) SMN1; SMN2GAANPSR1MAPTNTRK1
SCHEMBL8810019 0.82 ROCK2 (0.43) LMNASMN1; SMN2GAANPSR1MAPT
SCHEMBL8809258 0.81 ROCK2 (0.57) GAANPSR1NTRK1ROCK2
SCHEMBL9057529 0.80 WNT1 (0.44) GAANPSR1MAPTABL1ROCK2
SCHEMBL8809549 0.80 GAA (0.44) LMNASMN1; SMN2GAANPSR1MAPT
SCHEMBL9059369 0.79 GAA (0.49) GAANPSR1MAPTALDH1A1
SCHEMBL8809295 0.79 ALDH1A1 (0.46) LMNASMN1; SMN2GAANPSR1ALDH1A1

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed