SCHEMBL2431624

SCHEMBL2431624

NC(=O)c1sc2cc(Br)ccc2c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LIMK1 P53667 3/20 0.36
IKBKB O14920 1/20 0.36
GPR35 Q9HC97 1/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
DGAT1 O75907 1/20 0.34
NPC1 O15118 2/20 0.34
PIM1 P11309 2/20 0.33
PRKACA P17612 2/20 0.33

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
SCHEMBL12325636 0.94 MEN1 (0.39) MAPK1PRNPTSHRPPARGHTT
SCHEMBL2428388 0.82 MAPK1 (0.40) MAPK1HTTRAB9AMEN1KMT2A
SCHEMBL2430453 0.82 GPR35 (0.43) RXFP1GPR35RAB9AMEN1KMT2A
SCHEMBL28322304 0.74 QDPR (0.45) MAPK1PRNPTSHRPPARGHTT
SCHEMBL958906 0.72 LIMK1 (0.54) MAPK1LIMK1IKBKBRAB9AMEN1
SCHEMBL20695473 0.72 MGLL (0.36)
SCHEMBL2429181 0.71 NOTUM (0.30)
SCHEMBL21714170 0.70 LIMK1 (0.51) LIMK1IKBKBRAB9AMEN1KMT2A
SCHEMBL693361 0.70 BCKDK (0.60) TSHRRXFP1GPR35RAB9ANPC1
SCHEMBL912683 0.69 RAB9A (0.52) TSHRRAB9AMEN1KMT2ANPC1

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
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed