SCHEMBL9254446

SCHEMBL9254446

N=C(N)c1ccc(N2CCC(c3nnc(CCC(=O)O)o3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.57
ITGA2B P08514 13/20 0.57
ALOX15 P16050 1/20 0.45
PRSS1 P07477 4/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
F2 P00734 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
HTT P42858 1/20 0.43
F10 P00742 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GRIN2D O15399 1/20 0.40

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
SCHEMBL9248696 0.88 PKM (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9248909 0.86 UBE2T (0.47) ITGB3ITGA2BHTTF10KMT2A
SCHEMBL9248315 0.75 UBE2T (0.44) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL9248091 0.74 ITGB3 (0.56) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL9258264 0.74 ITGB3 (0.64) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL9253862 0.73 ITGB3 (0.53) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8988856 0.72 ITGB3 (0.69) ITGB3ITGA2BALOX15PRSS1F2
SCHEMBL9257912 0.70 NR1H4 (0.61) ITGB3ITGA2BPRSS1KMT2AMEN1
SCHEMBL9173941 0.69 ITGB3 (0.57) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL7341889 0.68 ITGB3 (0.76) ITGB3ITGA2BALOX15PRSS1PRSS2

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 2 patents. 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 disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed