SCHEMBL27763527

SCHEMBL27763527

O=C(Nc1ccccc1Cl)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PAX8 Q06710 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DHODH Q02127 2/20 0.43
PARP1 P09874 2/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPK1 P28482 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
SCHEMBL27763521 0.90 MMP2 (0.53) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27742870 0.89 MMP2 (0.52) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27763507 0.89 MMP2 (0.52) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27763514 0.86 MMP2 (0.56) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27742883 0.86 MMP2 (0.50) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27742873 0.84 DHODH (0.49) KMT2AMEN1DHODHPARP1CYP1A2
SCHEMBL27742876 0.84 PARP1 (0.46) DHODHPARP1CYP1A2HPGDCYP2C19
SCHEMBL27742896 0.82 MMP2 (0.50) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL27763518 0.82 MMP2 (0.50) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL28780360 0.80 PARP1 (0.47) KMT2ADHODHPARP1CYP1A2HPGD

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