SCHEMBL9942576

SCHEMBL9942576

Bc1cnc(Cl)c2[nH]cc(C(=O)C(=O)OC)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.35
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL2628870 0.86 NR4A2 (0.36) NR4A2CYP2C9MAP2K1MAP3K7TAB1
SCHEMBL1762967 0.85 CYP2C9 (0.43) NR4A2CYP2C9
SCHEMBL2628871 0.85 NR4A2 (0.35) NR4A2CYP2C9MAP2K1MAP3K7TAB1
SCHEMBL1763549 0.85 NR4A2 (0.35) NR4A2CYP2C9MAP2K1MAP3K7TAB1
SCHEMBL9942574 0.84 MAP4K1 (0.35) NR4A2CYP2C9MAP3K7TAB1
SCHEMBL1763185 0.74 NR4A2 (0.45) NR4A2MAP2K1AXL
SCHEMBL7063069 0.74 CYP2C9 (0.41) CYP2C9
SCHEMBL2628952 0.73 CYP2C9 (0.47) NR4A2CYP2C9
SCHEMBL12215466 0.73 CYP2C9 (0.44) NR4A2CYP2C9
Potassium Ion SCHEMBL1763584 0.72 CYP2C9 (0.43) NR4A2CYP2C9

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
EP-1363705-B9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-11-07 EP disclosed
EP-1363705-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-06-13 EP disclosed