SCHEMBL16366188

SCHEMBL16366188

N/N=C(\NN)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.48
PARP1 P09874 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
IDO1 P14902 1/20 0.42
CTSL P07711 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL20114490 0.78 PARP1 (0.48) PARP1SMN1; SMN2CTSL
SCHEMBL20350852 0.77 ALDH1A1 (0.38) SMN1; SMN2GAANFKB1
SCHEMBL21339902 0.76 OGG1 (0.52) SMN1; SMN2IDO1CTSLGAA
SCHEMBL441773 0.76 NOS1 (0.40) PARP1SMN1; SMN2IDO1HPGDL3MBTL1
SCHEMBL2945465 0.76 NOS1 (0.40) PARP1SMN1; SMN2IDO1HPGDL3MBTL1
SCHEMBL16543881 0.75 C1S (0.59) C1SPARP1SMN1; SMN2CTSLGAA
SCHEMBL3725357 0.73 NPC1 (0.53) C1SPARP1SMN1; SMN2L3MBTL1
SCHEMBL401199 0.73 L3MBTL1 (0.64) PARP1SMN1; SMN2GAAL3MBTL1
SCHEMBL6961313 0.73 C1S (0.62) C1SPARP1SMN1; SMN2IDO1CTSL
SCHEMBL28127816 0.73 NPC1 (0.53) C1SPARP1SMN1; SMN2L3MBTL1

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-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed