SCHEMBL8604389

SCHEMBL8604389

O=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])[nH]3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.57
HSP90AA1 P07900 1/20 0.53
ESR2 Q92731 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NR4A2 P43354 1/20 0.53
NPBWR1 P48145 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESR1 P03372 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL7469217 0.90 CHEK2 (0.47) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL8604368 0.81 CHEK2 (0.61) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL5217725 0.79 CHEK2 (0.87) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL3167456 0.78 CHEK2 (0.57) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL8602741 0.78 CHEK2 (0.57) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL8602093 0.76 MMP2 (0.64) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL20982644 0.75 NR4A2 (0.86) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL8600314 0.75 CHEK2 (0.60) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL20982607 0.75 CHEK2 (0.63) CHEK2HSP90AA1ESR2TDP1NR4A2
SCHEMBL8601919 0.75 CHEK2 (0.60) CHEK2HSP90AA1ESR2TDP1NR4A2

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
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed