SCHEMBL30967646

SCHEMBL30967646

CCCOc1ccc(C)c2nc(N)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MCHR1 Q99705 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30967452 0.84 MCHR1 (0.40) KDM4EHSD17B10MAPK1MCHR1HTT
SCHEMBL30967561 0.82 HSD17B10 (0.40) KDM4EHSD17B10MAPK1MCHR1HTT
SCHEMBL18416893 0.81 CYP3A4 (0.56) KDM4EHSD17B10HTTALDH1A1MAPT
SCHEMBL30189863 0.81 CYP3A4 (0.56) KDM4EHSD17B10HTTALDH1A1MAPT
SCHEMBL25323852 0.76 KDM4E (0.68) KDM4EHSD17B10MAPK1HTTALDH1A1
SCHEMBL106320 0.75 ALDH1A1 (0.55) HSD17B10MAPK1HTTALDH1A1MAPT
SCHEMBL30967498 0.75 TLR8 (0.49) KDM4EHSD17B10MCHR1ALDH1A1MAPT
SCHEMBL19729118 0.73 HSD17B10 (0.55) KDM4EHSD17B10MCHR1HTTALDH1A1
SCHEMBL30967564 0.71 SMN1; SMN2 (0.41) KDM4EHSD17B10MAPK1ALDH1A1CYP3A4
SCHEMBL5206462 0.70 ALDH1A1 (0.56) HSD17B10HTTALDH1A1MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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