SCHEMBL5329933

SCHEMBL5329933

CCCc1c(C)oc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42

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
SCHEMBL8548340 0.85 HTT (0.43) HTTLMNACA9CA12MAPT
SCHEMBL11561853 0.79 CA9 (0.51) HTTLMNACA9CA12MAPT
SCHEMBL7999688 0.77 CA9 (0.50) HTTLMNACA9CA12MAPT
SCHEMBL11233028 0.75 KDM1A (0.53) HTTLMNACA9CA12MAPT
SCHEMBL17793558 0.74 HSD17B3 (0.52) HTTLMNAALDH1A1MEN1KMT2A
Formamide SCHEMBL28411125 0.72 HTT (0.46) HTTLMNACA9CA12MAPT
SCHEMBL15323553 0.72 NPC1 (0.52) HTTLMNACA9CA12MAPT
SCHEMBL8327473 0.72 NPC1 (0.52) HTTLMNACA9CA12MAPT
SCHEMBL9400567 0.71 MAPT (0.67) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL5653778 0.71 MAPT (0.51) LMNACA9CA12MAPTTDP1

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-2007140989-A2 PROCESS FOR THE MANUFACTURE OF 2-BUTYL-3- (4-METHOXYBENZOYL) -5-NITROBENZOFURANE AND USE THEREOF IN THE PRODUCTION OF OF MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2007-12-13 WO claimed
WO-2007140989-A2 PROCESS FOR THE MANUFACTURE OF 2-BUTYL-3- (4-METHOXYBENZOYL) -5-NITROBENZOFURANE AND USE THEREOF IN THE PRODUCTION OF OF MEDICAMENTS CAMBREX KARLSKOGA AB (SE) 2007-12-13 WO disclosed