SCHEMBL9254596

SCHEMBL9254596

N=C(N)c1ccc(N2CCC(c3nnn(-c4ccc(CCC(=O)O)cc4)n3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
UBE2T Q9NPD8 1/20 0.43
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.39
F10 P00742 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMO Q99835 1/20 0.35
TMPRSS15 P98073 1/20 0.34
AOC3 Q16853 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL9253831 0.90 UBE2T (0.40) ITGB3ITGA2BUBE2TNPC1ALDH1A1
SCHEMBL9258264 0.89 ITGB3 (0.64) ITGB3ITGA2BF10F2PLG
SCHEMBL9253933 0.82 UBE2T (0.47) ITGB3ITGA2BUBE2TNPC1ALDH1A1
SCHEMBL9254517 0.79 ITGB3 (0.49) ITGB3ITGA2BF10HRH3TMPRSS15
SCHEMBL9248909 0.75 UBE2T (0.47) ITGB3ITGA2BUBE2TNPC1ALDH1A1
SCHEMBL9250984 0.74 UBE2T (0.46) ITGB3ITGA2BUBE2TNPC1ALDH1A1
SCHEMBL9253885 0.74 UBE2T (0.44) UBE2TNPC1ALDH1A1LMNAMAPT
SCHEMBL7273453 0.73 ITGB3 (0.58) ITGB3ITGA2BUBE2TF10F2
SCHEMBL9258838 0.72 ITGB3 (0.59) ITGB3ITGA2BNPC1F10TMPRSS15
SCHEMBL9253862 0.72 ITGB3 (0.53) ITGB3ITGA2BALDH1A1F10F2

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US claimed