SCHEMBL8380840

SCHEMBL8380840

COC(=O)CNC(=O)c1cccc(NC(=O)CN2CCN(C(=N)N)CC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
ALDH1A1 P00352 4/20 0.41
TMPRSS2 O15393 3/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 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
SCHEMBL7913438 0.91 GAA (0.43) ITGB3ITGA2BALDH1A1TMPRSS2SMN1; SMN2
SCHEMBL7907920 0.90 ITGB3 (0.53) ITGB3ITGA2BALDH1A1TMPRSS2TP53
SCHEMBL8384345 0.90 ITGB3 (0.40) ITGB3ITGA2BALDH1A1TMPRSS2SMN1; SMN2
SCHEMBL8384256 0.86 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL8386175 0.85 CA12 (0.41) ITGB3ITGA2BALDH1A1TMPRSS2TP53
SCHEMBL7906619 0.85 ITGB3 (0.47) ITGB3ITGA2BALDH1A1TMPRSS2TP53
SCHEMBL7906618 0.84 HTT (0.49) ITGB3ITGA2BALDH1A1TMPRSS2SMN1; SMN2
SCHEMBL8380937 0.83 ITGB3 (0.46) ITGB3ITGA2BTMPRSS2MEN1KMT2A
SCHEMBL8386238 0.82 HTT (0.43) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL8384540 0.82 NPC1 (0.46) MAPK1MAPTTDP1HTT

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
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed