SCHEMBL27763525

SCHEMBL27763525

O=C(Nc1ccccc1Br)c1cccc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
DHODH Q02127 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LCLAT1 Q6UWP7 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
LMNA P02545 2/20 0.41
PARP1 P09874 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
F2R P25116 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL28780360 0.87 PARP1 (0.47) RAB9ADHODHALDH1A1NPC1TP53
SCHEMBL27742881 0.87 MAPT (0.52) RAB9ADHODHALDH1A1NPC1TP53
SCHEMBL27742874 0.84 MAPT (0.51) RAB9ADHODHALDH1A1NPC1TP53
SCHEMBL27763524 0.84 DHODH (0.42) DHODHALDH1A1MAPTKDM4EKMT2A
SCHEMBL27763529 0.83 DHODH (0.42) DHODHALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL27742889 0.83 DHODH (0.46) DHODHALDH1A1MAPTKDM4EKMT2A
SCHEMBL27742880 0.83 DHODH (0.46) DHODHALDH1A1MAPTPOLBKDM4E
SCHEMBL27742870 0.80 MMP2 (0.52) RAB9ADHODHALDH1A1NPC1MAPT
SCHEMBL27763516 0.80 RAB9A (0.51) RAB9ADHODHALDH1A1NPC1TP53
SCHEMBL27763598 0.80 RAB9A (0.56) RAB9ADHODHALDH1A1NPC1TP53

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