SCHEMBL28795609

SCHEMBL28795609

COc1cc(Br)c2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
EP300 Q09472 1/20 0.49
ERN1 O75460 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
NQO2 P16083 1/20 0.41
LCK P06239 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11078452 0.85 ALOX5 (0.50) ALOX5PTGS2EP300ERN1MAPT
SCHEMBL9627412 0.82 EP300 (0.48) EP300MAPTALDH1A1MEN1KMT2A
SCHEMBL10582613 0.82 EP300 (0.48) EP300ERN1MAPTALDH1A1MEN1
SCHEMBL6226635 0.80 HSD17B10 (0.44) ALOX5MAPTALDH1A1MEN1KMT2A
SCHEMBL29700325 0.80 EP300 (0.67) EP300MAPTALDH1A1MEN1KMT2A
SCHEMBL9054405 0.80 EP300 (0.67) EP300MAPTALDH1A1MEN1KMT2A
SCHEMBL7675155 0.78 SMN1; SMN2 (0.54) EP300ALDH1A1POLBCA1CA2
SCHEMBL24527721 0.77 NQO2 (0.41) EP300MAPTALDH1A1POLBCA1
SCHEMBL11062870 0.75 EP300 (0.50) EP300MAPTALDH1A1MEN1KMT2A
SCHEMBL585863 0.74 HTT (0.53) MAPTALDH1A1MEN1KMT2ATP53

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-114835630-A Method for synthesizing spiro [ cyclohexenone-1, 2' -indoline ] skeleton 武汉工程大学 2022-08-02 CN disclosed