SCHEMBL9007803

SCHEMBL9007803

COc1cccc(NC(=O)NCCCNNC=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.63
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 1/20 0.63
CASR P41180 1/20 0.61
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
HTR2A P28223 2/20 0.51
CCR3 P51677 2/20 0.51
MARS1 P56192 1/20 0.50
MITF O75030 1/20 0.50

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
SCHEMBL27773680 0.82 PKM (0.71) PKMKMT2AHSD17B10CASRHTT
SCHEMBL5612967 0.82 PKM (0.83) PKMKMT2AHSD17B10CASRHTT
SCHEMBL12988620 0.79 PKM (0.74) PKMKMT2AHSD17B10CASRHTT
SCHEMBL6691828 0.78 HTT (0.69) PKMKMT2AHSD17B10CASRHTT
SCHEMBL358772 0.78 MTNR1A (0.74) PKMKMT2AHSD17B10CASRHTT
SCHEMBL13272561 0.77 PKM (0.67) PKMKMT2AHSD17B10CASRHTT
SCHEMBL27599887 0.76 TP53 (0.68) PKMKMT2AHSD17B10HTTMAPT
SCHEMBL13480581 0.76 MTNR1B (0.72) PKMKMT2AHSD17B10CASRHTT
SCHEMBL22170204 0.76 CASR (0.75) PKMKMT2AHSD17B10CASRHTT
SCHEMBL25914013 0.76 CASR (0.64) PKMKMT2AHSD17B10CASRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399460-B1 Silver halide photograpic material FUJI PHOTO FILM CO LTD (JP) 1996-10-23 EP disclosed
EP-0399460-A2 Silver halide photograpic material FUJI PHOTO FILM CO., LTD. (JP) 1990-11-28 EP disclosed