SCHEMBL7459487

SCHEMBL7459487

Nc1ncnc2cc(C[C@]3(NC(=O)c4ccc(Cl)s4)CCNC3=O)ccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.34
HPGD P15428 1/20 0.32
PDPK1 O15530 2/20 0.32
WDR91 A4D1P6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL7378536 0.95 F10 (0.33) F10PDPK1
Trifluoroacetic Acid SCHEMBL7375524 0.84 F10 (0.32) F10
Trifluoroacetic Acid SCHEMBL7370656 0.84 F10 (0.32) F10
Trifluoroacetic Acid SCHEMBL7374501 0.82 F10 (0.32) F10
Trifluoroacetic Acid SCHEMBL7374544 0.82 F10 (0.33) F10
Trifluoroacetic Acid SCHEMBL7373181 0.82 F10 (0.33) F10
SCHEMBL7374752 0.78 MAP4K4 (0.41) F10
Trifluoroacetic Acid SCHEMBL7379421 0.78 KDR (0.37) F10PDPK1
SCHEMBL7376654 0.77 F10 (0.33) F10PDPK1
SCHEMBL7373275 0.73 MAP4K4 (0.36) F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed