SCHEMBL30960102

SCHEMBL30960102

COc1cc(Br)c2c(c1)CCCC2=NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
KIT P10721 2/20 0.36
PDGFRA P16234 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 3/20 0.33
MEN1 O00255 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL25305805 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDKITPDGFRA
SCHEMBL25642895 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EKITPDGFRAFLT4
SCHEMBL31650059 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EKITPDGFRAFLT4
SCHEMBL31048409 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EKITPDGFRAFLT4
SCHEMBL30550465 0.76 EGFR (0.42) ALDH1A1KDM4EKITPDGFRAFLT4
SCHEMBL25307258 0.76 EGFR (0.42) ALDH1A1KDM4EKITPDGFRAFLT4
SCHEMBL31650459 0.76 EGFR (0.36) ALDH1A1KITPDGFRAFLT4KDR
SCHEMBL34461299 0.74 PGR (0.43) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL11971460 0.73 MAPT (0.55) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL1806126 0.73 MAPT (0.55) ALDH1A1KDM4EHPGDMAPTMAPK1

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
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 WO disclosed