SCHEMBL2170155

SCHEMBL2170155

CC(C)(C)[S+]([O-])/N=C/Cc1ccnc(Br)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 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
SCHEMBL2169481 0.86 AR (0.31) AR
SCHEMBL17440708 0.84 AR (0.30) AR
SCHEMBL17440710 0.84 AR (0.30) AR
SCHEMBL17982022 0.80 AAK1 (0.31)
SCHEMBL1421108 0.77 TAAR1 (0.37)
SCHEMBL16466400 0.77 TAAR1 (0.37)
SCHEMBL16466399 0.77 TAAR1 (0.37)
SCHEMBL17981995 0.77 SCN9A (0.33)
SCHEMBL21459687 0.75 KDM1A (0.35)
SCHEMBL21459689 0.75 KDM1A (0.35)

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
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed