SCHEMBL1034434

SCHEMBL1034434

CC(C)(C)OC(=O)c1c[nH]c2ccc(F)c(Br)c12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.38
GABRA1 P14867 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL1033805 0.84 NR4A2 (0.47) NR4A2GABRA1GABRA3GABRB1GABRB2
SCHEMBL28229874 0.82 NR4A2 (0.35) NR4A2
SCHEMBL28046327 0.81 NR4A2 (0.49) NR4A2GPR84
SCHEMBL1033378 0.80 NR4A2 (0.38) NR4A2GABRA1GABRA3GABRG2GABRB3
SCHEMBL17417627 0.78 F7 (0.46) GPR84
SCHEMBL5592328 0.78 NR4A2 (0.49) NR4A2
SCHEMBL27893657 0.76 GABRA1 (0.38) NR4A2GABRA1GABRA3GABRG2GABRB3
SCHEMBL27890213 0.73 NR4A2 (0.44) NR4A2
SCHEMBL15557355 0.72 KDM4E (0.54) NR4A2GABRA1GABRA3GABRG2GABRB3
SCHEMBL6986880 0.72 NR4A2 (0.72) NR4A2GABRA1GABRA3GABRB1GABRB2

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-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed