SCHEMBL11046086

SCHEMBL11046086

O=C(I)NNc1ccc(NC(=O)Nc2cccc(NC(=S)Nc3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
GAA P10253 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 4/20 0.50
MEN1 O00255 4/20 0.50
SIRT1 Q96EB6 1/20 0.50
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
KDR P35968 1/20 0.49
CCR6 P51684 1/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL11046754 0.88 SIRT1 (0.58) KMT2ASMN1; SMN2LMNAMEN1SIRT1
SCHEMBL11047148 0.87 MAOA (0.63) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL11051368 0.81 SIRT1 (0.50) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL17193484 0.76 TP53 (0.81) KMT2ASMN1; SMN2LMNAMEN1SIRT1
SCHEMBL11048822 0.76 MEN1 (0.71) GAAKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL11686576 0.74 GAA (0.74) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL11687869 0.73 PTGS2 (0.73) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL11043258 0.72 ALDH1A1 (0.53) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL11686091 0.71 PTGS2 (0.70) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL11520336 0.71 ALDH1A1 (0.64) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E

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-4481285-A IMPROVED SHAPPNESS AND EDGE EFFECTS FUJI PHOTO FILM CO., LTD. (JP) 1984-11-06 US disclosed