SCHEMBL4775890

SCHEMBL4775890

O=C1NC(=O)C(=Cc2ccc3c(c2)c2ccccc2n3C(=O)C(F)(F)F)S1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.50
PIM2 Q9P1W9 9/20 0.50
CISD1 Q9NZ45 2/20 0.50
TTR P02766 1/20 0.50
PIM3 Q86V86 1/20 0.48
AKR1B1 P15121 2/20 0.47
HPGD P15428 4/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.45
ESRRA P11474 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL4775888 1.00 PIM1 (0.50) PIM1PIM2CISD1TTRPIM3
SCHEMBL5320920 0.91 CISD1 (0.51) PIM1CISD1RAB9A
SCHEMBL5320923 0.91 CISD1 (0.51) PIM1CISD1RAB9A
SCHEMBL5326341 0.83 PIM1 (0.52) PIM1PIM2CISD1PIM3AKR1B1
SCHEMBL1247642 0.78 PIM1 (0.54) PIM1PIM2CISD1PIM3AKR1B1
SCHEMBL1247641 0.78 PIM1 (0.54) PIM1PIM2CISD1PIM3AKR1B1
SCHEMBL12891939 0.78 PIM1 (0.54) PIM1PIM2CISD1PIM3AKR1B1
SCHEMBL4777741 0.77 PTGER4 (0.48) HPGDRAB9A
SCHEMBL4781425 0.74 MYC (0.53) PIM1CISD1RAB9A
SCHEMBL4781421 0.74 MYC (0.53) PIM1CISD1RAB9A

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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed