SCHEMBL7593048

SCHEMBL7593048

N=C(c1oc2c(N3CCCC3)cccc2c1Cl)N(O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC9A1 P19634 2/20 0.35
GOT1 P17174 1/20 0.33
CSF1R P07333 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL6086196 0.80 KCNQ2 (0.42) KCNQ2MEN1KMT2AGAAHPGD
SCHEMBL5866892 0.74 KCNQ2 (0.41) KCNQ2MEN1KMT2AGAAHPGD
SCHEMBL5866890 0.74 KCNQ2 (0.41) KCNQ2MEN1KMT2AGAAHPGD
SCHEMBL5866894 0.72 IDO1 (0.46) KCNQ2MEN1KMT2AGAAHPGD
SCHEMBL7588273 0.67 THRB (0.42) MEN1KMT2ASMN1; SMN2HTR3EHTR3B
SCHEMBL7586241 0.60 HTR3E (0.40) MEN1KMT2AALDH1A1HTR3EHTR3B
SCHEMBL6086523 0.60 HTR3E (0.42) KMT2ASMN1; SMN2ALDH1A1HSD17B10HTR3E
SCHEMBL20887127 0.60 PRKDC (0.54) MEN1KMT2AGAAALDH1A1HSD17B10
SCHEMBL7585802 0.58 LMNA (0.51) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL14693884 0.58 IDO1 (0.53) MEN1KMT2AALDH1A1PKMHTR3E

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-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed