SCHEMBL11890

SCHEMBL11890

CCC(Cc1ccc(-n2cccn2)cc1)C(C)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.41
BRS3 P32247 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TP53 P04637 2/20 0.38
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL16136708 0.76 MME (0.43) MEN1KMT2A
SCHEMBL5698 0.75 SLC6A2 (0.46) BRS3
SCHEMBL10098 0.74 BLM (0.39)
SCHEMBL11889 0.74 POLB (0.41) GCGRBRS3MAPTMEN1PKM
SCHEMBL15648532 0.73 KDM4E (0.49) GCGRCA12CA1CA2CA5A
SCHEMBL20630517 0.70 SLC7A5 (0.54) PKMCA12CA1CA2CA5A
SCHEMBL20630516 0.70 SLC7A5 (0.54) PKMCA12CA1CA2CA5A
SCHEMBL3722358 0.70 ACE (0.54)
SCHEMBL3722362 0.70 ACE (0.54)
SCHEMBL7256083 0.69 CAPN1 (0.46) GCGRMAPTMEN1PKMKMT2A

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-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed