SCHEMBL31128598

SCHEMBL31128598

COc1cc(C#N)cc(-c2cc(CO)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ THRB P10828 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ LRRK2 Q5S007 3/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40

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
SCHEMBL31128590 0.87 RXFP1 (0.41) CHRNB2CHRNA4THRBRXFP1KDM1A
SCHEMBL31128516 0.77 THRB (0.56) THRBRXFP1
SCHEMBL8196656 0.76 NOTUM (0.64) NOTUM
SCHEMBL4220273 0.75 NOTUM (0.62) NOTUMCHRNB2CHRNA4LRRK2CHEK1
SCHEMBL31128525 0.74 NOTUM (0.43) NOTUMCHRNB2CHRNA4LRRK2CHEK1
SCHEMBL31128596 0.73 NOTUM (0.41) NOTUMTHRBRXFP1
SCHEMBL31128567 0.73 NOTUM (0.49) NOTUMLRRK2CHEK1AURKADAPK3
SCHEMBL2763829 0.72 NOTUM (0.53) NOTUMLRRK2CHEK1AURKADAPK3
SCHEMBL24784637 0.70 GRM5 (0.44) KDM1ALRRK2GRM5
SCHEMBL30018769 0.70 GRM5 (0.44) KDM1ALRRK2GRM5

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
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