SCHEMBL27763523

SCHEMBL27763523

Cc1ccccc1NC(=O)c1cccc2[nH]c(-c3ccc(O)o3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DHODH Q02127 3/20 0.50
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.42
HPSE Q9Y251 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
SCHEMBL27763511 0.91 ALDH1A1 (0.53) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL27763515 0.89 DHODH (0.53) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL27763524 0.88 DHODH (0.42) MAPTDHODHALDH1A1KDM4EHPGD
SCHEMBL27742891 0.85 DHODH (0.49) MAPTDHODHHSD17B10ALDH1A1KDM4E
SCHEMBL27742881 0.84 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL27742879 0.84 NPC1 (0.49) MAPTDHODHHSD17B10ALDH1A1KDM4E
SCHEMBL27763526 0.84 KCNMA1 (0.50) CYP1A2CYP2C9CYP2C19HTTMAPK1
SCHEMBL27742880 0.80 DHODH (0.46) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL27763508 0.80 MMP2 (0.44) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL27742895 0.80 DHODH (0.45) MAPTDHODHHSD17B10ALDH1A1KDM4E

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