SCHEMBL31128488

SCHEMBL31128488

COc1cc(-c2cc(CO)no2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47

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
SCHEMBL31128519 0.86 PAX8 (0.46) NOTUMSCDSCD5PAX8MAPK1
SCHEMBL31128539 0.86 PAX8 (0.46) NOTUMSCDSCD5PAX8MAPK1
SCHEMBL31128619 0.81 MAPK1 (0.48) SCDSCD5MAPK1NPC1RAB9A
SCHEMBL31128567 0.80 NOTUM (0.49) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL2763829 0.80 NOTUM (0.53) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL31128642 0.78 NOTUM (0.50) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL8196656 0.78 NOTUM (0.64) NOTUMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31128525 0.76 NOTUM (0.43) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL31128603 0.76 NOTUM (0.43) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL2431070 0.76 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2

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-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 WO disclosed