SCHEMBL31128596

SCHEMBL31128596

COc1ccc(C#N)c(-c2cc(CO)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36

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
SCHEMBL31128494 0.87 KDM4E (0.39) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL18490099 0.80 NOTUM (0.46) NOTUMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL31128612 0.78 NOTUM (0.37) NOTUMNPC1RAB9AHSD17B10KDM4E
SCHEMBL31128547 0.77 THRB (0.49) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL31128567 0.77 NOTUM (0.49) NOTUMNPC1RAB9AKDM4EHPGD
SCHEMBL8196656 0.75 NOTUM (0.64) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL31128570 0.73 DCTPP1 (0.37) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL31128598 0.73 NOTUM (0.46) NOTUMTHRBRXFP1
SCHEMBL31128525 0.71 NOTUM (0.43) NOTUMKDM4EHPGDMAPK1MAPT
SCHEMBL7095254 0.71 PGR (0.55) KDM4EALDH1A1HPGDMEN1KMT2A

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
Send feedback