SCHEMBL27763516

SCHEMBL27763516

O=C(Nc1ccc(Cl)cc1)c1cccc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PARP1 P09874 3/20 0.49
USP2 O75604 1/20 0.47
CASP7 P55210 1/20 0.47
PTPN7 P35236 1/20 0.45
GRM5 P41594 1/20 0.45
DHODH Q02127 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
LCLAT1 Q6UWP7 3/20 0.43

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
SCHEMBL27742874 0.90 MAPT (0.51) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27763598 0.89 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27742887 0.89 MAPT (0.51) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL28780360 0.84 PARP1 (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27742878 0.84 PARP1 (0.48) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27763530 0.83 PARP1 (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27763519 0.83 PARP1 (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27742890 0.83 MAPT (0.49) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL27742883 0.80 MMP2 (0.50) RAB9AMAPTSMN1; SMN2POLBPARP1
SCHEMBL27763525 0.80 RAB9A (0.43) RAB9ANPC1MAPTKDM4EALDH1A1

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
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN disclosed