SCHEMBL9275209

SCHEMBL9275209

O=C(c1ccccc1Oc1ncccn1)c1ccccc1Oc1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ CTNNB1 P35222 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL118736 0.87 HTT (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL30867034 0.87 HTT (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL9592615 0.85 CTNNB1 (0.61) CTNNB1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL8939191 0.82 SMN1; SMN2 (0.42) CTNNB1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8456369 0.81 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
Phenol SCHEMBL29212150 0.81 HTT (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL11133778 0.79 MEN1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28656936 0.76 SRC (0.48) ELANECTNNB1SRCTGFBR1ALDH1A1
SCHEMBL8802603 0.75 MAPK1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL31087893 0.74 HTT (0.43) ALDH1A1KMT2ASMN1; SMN2HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7215949-A — — None — — JP disclosed
JP-7215948-A — — None — — JP disclosed
JP-H07215949-A PYRIMIDINYLOXYPHENYL KETONE DERIVATIVE AND HERBICIDE HOKKO CHEM IND CO LTD 1995-08-15 — — JP disclosed
JP-H07215948-A PYRIMIDINYLOXYPHENYL KETONE DERIVATIVE AND HERBICIDE HOKKO CHEM IND CO LTD 1995-08-15 — — JP disclosed
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