SCHEMBL27680505

SCHEMBL27680505

CC(=O)c1ccc(OC=Cc2ccc(N=[N+]=[N-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SCD O00767 1/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13653950 0.80 NOS3 (0.53) KMT2AMAPTRAB9AHPGDL3MBTL1
SCHEMBL30138442 0.74 F3 (0.71) KMT2AMAPTRAB9AALDH1A1CYP3A4
SCHEMBL27680504 0.74 F3 (0.71) KMT2AMAPTRAB9AALDH1A1CYP3A4
Acetophenone SCHEMBL28408032 0.72 PTGS2 (0.47) MAPTHPGDNOS3NOS1SCN1A
SCHEMBL15457782 0.72 GLA (0.52) MAPTGAASCN1ASCN2ASCN3A
SCHEMBL14780999 0.72 GLA (0.52) MAPTGAASCN1ASCN2ASCN3A
SCHEMBL28232076 0.71 F3 (0.56) KMT2AMAPTRAB9ACYP3A4TDP1
SCHEMBL30383969 0.71 F3 (0.56) KMT2AMAPTRAB9ACYP3A4TDP1
SCHEMBL13810583 0.71 F3 (0.56) KMT2AMAPTRAB9ACYP3A4TDP1
Acetophenone SCHEMBL14860336 0.70 PTGS2 (0.54) MAPTRAB9AHPGDNOS3NOS1

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-86108193-A High molecular weight soluble novolak resin and process for producing the same — 1987-07-22 — — CN disclosed
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