SCHEMBL9035247

SCHEMBL9035247

C[C@]1(c2ccc(C=NN)cc2)NC(=O)N(CC(=O)N[C@H]([C]=O)CC(=O)O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7980927 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7951737 0.85 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7961103 0.85 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7966945 0.85 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7951602 0.85 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7960021 0.85 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7969571 0.85 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7985151 0.84 ITGB3 (0.62) ITGB3ITGA2BKMT2AMEN1MAPT
Acetic Acid SCHEMBL7963605 0.84 ITGB3 (0.70) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7981895 0.83 ITGB3 (0.66) ITGB3ITGA2BKMT2AMEN1MAPT

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
EP-0729460-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-04 EP disclosed