SCHEMBL22701982

SCHEMBL22701982

COC(=O)/C=C/Sc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HPGD P15428 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 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
SCHEMBL22701952 0.83 SMN1; SMN2 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3037199 0.82 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11444360 0.82 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22701975 0.82 MAPT (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22701983 0.79 KMT2A (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22701981 0.78 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22701935 0.76 CCNC (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5259514 0.73 CA12 (0.70) MAPTALDH1A1LMNACA12CA1
SCHEMBL403043 0.73 CA12 (0.70) MAPTALDH1A1LMNACA12CA1
SCHEMBL403042 0.73 CA12 (0.70) MAPTALDH1A1LMNACA12CA1

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
EP-3411361-B1 NRF2 ACTIVATING COMPOUNDS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2020-11-25 EP disclosed