SCHEMBL7981895

SCHEMBL7981895

CC1(c2ccc(C=NN)cc2)NC(=O)N(CC(=O)NC(CC(=O)O)c2ccc(C(=O)O)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.66
ITGA2B P08514 2/20 0.66
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.42
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL7985151 0.92 ITGB3 (0.62) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7966945 0.92 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7961103 0.92 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7951737 0.92 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7951602 0.92 ITGB3 (0.72) ITGB3ITGA2BKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7960021 0.91 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7969571 0.91 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7983590 0.91 ITGB3 (0.63) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL8489060 0.91 ITGB3 (0.65) ITGB3ITGA2BKMT2AMEN1MAPT
Acetic Acid SCHEMBL7963605 0.91 ITGB3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed