SCHEMBL9278243

SCHEMBL9278243

O=C(O)CCCCOc1ccc2nc(-c3ccccc3)n(-c3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AHR P35869 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTB4R Q15722 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9278755 0.99 LMNA (0.48) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL2329463 0.91 RAB9A (0.44) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL9287251 0.91 RAB9A (0.51) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL2323834 0.91 RAB9A (0.44) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL9285226 0.90 LTB4R (0.52) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL2326535 0.90 LTB4R (0.52) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL2328156 0.90 MAPT (0.48) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL2330131 0.89 ALDH1A1 (0.45) RAB9ALMNAPOLBTDP1MEN1
SCHEMBL9281733 0.88 PDE3B (0.47) LTB4RPPARGPPARACYP1A2PDE2A
SCHEMBL2323904 0.87 PPARA (0.48) LTB4RPPARGPPARACYP1A2PDE2A

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
WO-1995007263-A1 1,2-DI(HETERO)ARYLBENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROSTACYCLIN (PGI2) MIMETICS SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-16 WO disclosed