SCHEMBL7658105

SCHEMBL7658105

O=C(O)CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ADRB2 P07550 3/20 0.46
ATM Q13315 1/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL7658571 0.87 ITGB3 (0.45) ALDH1A1MAPK1GAASMN1; SMN2HTT
SCHEMBL7655229 0.86 ITGB3 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL7653716 0.84 SIRT6 (0.39) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL7658088 0.84 ITGB3 (0.59) ALDH1A1MAPK1MAPTGAASMN1; SMN2
SCHEMBL7654428 0.82 ITGB3 (0.48) ALDH1A1MAPK1MAPTGAASMN1; SMN2
SCHEMBL6496651 0.82 KAT6A (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL7658092 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTGAASMN1; SMN2
SCHEMBL12341345 0.76 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTGAASMN1; SMN2
SCHEMBL7652012 0.75 SMN1; SMN2 (0.41) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7651960 0.75 ITGB3 (0.43) ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed