SCHEMBL22701975

SCHEMBL22701975

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
LMNA P02545 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM3B Q7LBC6 1/20 0.43
HIF1AN Q9NWT6 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL11442464 0.84 MAPT (0.45) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL11442462 0.84 MAPT (0.45) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL13631514 0.84 MAPT (0.53) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL5722187 0.83 CA12 (0.65) MAPTLMNANPSR1CA12CA1
SCHEMBL22701982 0.82 MAPT (0.41) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL12729834 0.82 ALDH1A1 (0.42) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL69276 0.76 CA12 (0.73) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL69277 0.76 CA12 (0.73) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL13957564 0.76 CA12 (0.73) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL22701981 0.74 ALDH1A1 (0.47) MAPTLMNANPSR1MEN1KMT2A

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