SCHEMBL27775239

SCHEMBL27775239

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc(C(F)(F)F)c1I

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 20/20 0.67

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
SCHEMBL3308725 0.89 CXCR5 (0.71) CXCR5
SCHEMBL3310572 0.83 CXCR5 (0.52) CXCR5
SCHEMBL3304406 0.81 CXCR5 (1.00) CXCR5
SCHEMBL3752257 0.76 LMNA (0.57) CXCR5
SCHEMBL3310649 0.75 CXCR5 (0.64) CXCR5
SCHEMBL3309838 0.74 CXCR5 (0.58) CXCR5
SCHEMBL3310747 0.74 CXCR5 (1.00) CXCR5
SCHEMBL3308745 0.73 CXCR5 (0.70) CXCR5
SCHEMBL28785337 0.72 CXCR5 (0.72) CXCR5
SCHEMBL3303876 0.72 CXCR5 (1.00) CXCR5

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
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed