SCHEMBL22868117

SCHEMBL22868117

Cc1ccc2sc(C)c(NC(=O)c3ccc(C)[nH]c3=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 4/20 0.48
▸ HSD17B1 P14061 3/20 0.48
▸ POLB P06746 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ F10 P00742 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ SPR P35270 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL22867218 0.85 HSD17B2 (0.67) HSD17B2HSD17B1
SCHEMBL22868119 0.78 HSD17B2 (0.76) HSD17B2HSD17B1POLBALDH1A1KDM4E
SCHEMBL22868116 0.77 HSD17B2 (0.77) HSD17B2HSD17B1POLBALDH1A1KDM4E
SCHEMBL10964818 0.68 POLB (0.44) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL22867215 0.66 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL30359614 0.65 HSD17B2 (0.60) HSD17B2HSD17B1KDM4E
SCHEMBL22867243 0.65 HSD17B2 (0.60) HSD17B2HSD17B1KDM4E
SCHEMBL26351690 0.64 POLB (0.44) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL22867897 0.63 HSD17B2 (0.74) HSD17B2HSD17B1
SCHEMBL30359599 0.63 HSD17B2 (0.74) HSD17B2HSD17B1

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-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 — — WO disclosed
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