SCHEMBL28099537

SCHEMBL28099537

NC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.67
HCAR3 P49019 1/20 0.57
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PHGDH O43175 1/20 0.46
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.45
ABCB1 P08183 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
SCHEMBL28099696 0.83 F10 (0.73) F10
SCHEMBL28834490 0.80 F10 (0.80) F10KMT2ANPC1RAB9AALDH1A1
SCHEMBL28099683 0.80 F10 (1.00) F10
SCHEMBL28099689 0.80 F10 (0.82) F10KMT2A
SCHEMBL28099693 0.77 F10 (1.00) F10
SCHEMBL28099533 0.77 F10 (0.81) F10KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28099691 0.77 F10 (1.00) F10
SCHEMBL28099541 0.77 F10 (0.84) F10KMT2AMAPTPARP1
SCHEMBL28099685 0.77 F10 (0.79) F10
SCHEMBL28099687 0.75 F10 (0.83) F10

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-105985276-A 3,4-dibenzamido benzamide derivative, preparation method and application thereof 南京中瑞药业有限公司 2016-10-05 CN disclosed