SCHEMBL9256898

SCHEMBL9256898

N=C(N)c1ccc(-c2ccc(-c3csc(NCC(=O)O)n3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.58
ITGA2B P08514 9/20 0.58
CSNK2A1 P68400 2/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PHGDH O43175 1/20 0.46
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9258406 0.87 ITGB3 (0.55) ITGB3ITGA2BCSNK2A1MAPTMEN1
SCHEMBL9253949 0.76 ITGB3 (0.52) ITGB3ITGA2BMAPTMEN1RAB9A
Hydrochloric Acid SCHEMBL8824115 0.75 ITGB3 (0.98) ITGB3ITGA2BRAB9ANPC1
Hydrochloric Acid SCHEMBL8824031 0.75 ITGB3 (0.98) ITGB3ITGA2BRAB9ANPC1
Trifluoroacetic Acid SCHEMBL3174446 0.75 LMNA (0.57) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7287931 0.75 ITGB3 (0.55) ITGB3ITGA2BCSNK2A1MAPTMEN1
SCHEMBL8107316 0.74 ITGB3 (1.00) ITGB3ITGA2BRAB9ANPC1
SCHEMBL4590880 0.74 KMT2A (0.59) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8173189 0.72 ALDH1A1 (0.65) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7539560 0.72 NPC1 (0.53) ITGB3ITGA2BMAPTMEN1KMT2A

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