SCHEMBL8633760

SCHEMBL8633760

CC(C)(C)N1C(=O)N(CC(=O)O)C(=O)[C@]1(C)c1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.41
ITGA2B P08514 17/20 0.41
KMT2A Q03164 2/20 0.35
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
C1S P09871 1/20 0.33
PRSS3 P35030 1/20 0.33

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
Hydrochloric Acid SCHEMBL7969671 0.84 ITGB3 (0.42) ITGB3ITGA2BKMT2A
Hydrochloric Acid SCHEMBL6699327 0.84 ITGB3 (0.42) ITGB3ITGA2BKMT2A
Hydrochloric Acid SCHEMBL6699321 0.84 ITGB3 (0.42) ITGB3ITGA2BKMT2A
SCHEMBL7031736 0.83 ITGB3 (0.41) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL7026571 0.83 ITGB3 (0.41) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL8523439 0.83 ITGB3 (0.41) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL8480369 0.80 NQO2 (0.39) ITGB3ITGA2BKMT2APRSS1
SCHEMBL7029703 0.80 NQO2 (0.39) ITGB3ITGA2BKMT2APRSS1
SCHEMBL7034269 0.80 ITGB3 (0.43) ITGB3ITGA2BKMT2AF2PRSS1
SCHEMBL7033111 0.80 ITGB3 (0.43) ITGB3ITGA2BKMT2AF2PRSS1

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-0823898-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-18 EP disclosed