SCHEMBL28402158

SCHEMBL28402158

C=CCc1ccc2c(c1Nc1ccccc1)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ ELANE P08246 2/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.41
▸ MAPK1 P28482 6/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 7/20 0.41
▸ HTT P42858 5/20 0.41
▸ MITF O75030 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39

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
SCHEMBL11575989 0.80 P2RY12 (0.46) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL10761700 0.79 MAPT (0.47) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL7600157 0.77 ELANE (0.48) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL8089156 0.77 MAPT (0.49) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL10733814 0.76 MAPT (0.68) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11412142 0.76 GABRA1 (0.46) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL9282673 0.76 MAOA (0.56) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL2834207 0.76 ELANE (0.67) MAPTKMT2AMEN1ELANESMN1; SMN2
SCHEMBL30497048 0.76 ELANE (0.67) MAPTKMT2AMEN1ELANESMN1; SMN2
Hydrogen Peroxide SCHEMBL28190762 0.75 GABRA1 (0.51) MAPTKMT2AMEN1ELANESMN1; SMN2

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-111087831-A Preparation method of novel anthraquinone solvent blue dye 南京金浩医药科技有限公司 2020-05-01 — — CN disclosed
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