SCHEMBL30967452

SCHEMBL30967452

CCCOc1ccc(F)c2nc(N)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 4/20 0.37

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
SCHEMBL30967564 0.87 SMN1; SMN2 (0.41) KDM4EMAPK1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL30967565 0.86 SMN1; SMN2 (0.40) KDM4EMAPK1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL30967646 0.84 KDM4E (0.44) MCHR1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL30967561 0.83 HSD17B10 (0.40) MCHR1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL12804043 0.82 CYP3A4 (0.50) KDM4EMAPK1HSD17B10SMN1; SMN2MAPT
SCHEMBL15473212 0.81 PSEN1 (0.47) MCHR1KDM4EMAPK1HSD17B10MAPT
SCHEMBL25323852 0.75 KDM4E (0.68) KDM4EMAPK1HSD17B10SMN1; SMN2MAPT
SCHEMBL24785018 0.74 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1HTTTLR8
SCHEMBL30967498 0.74 TLR8 (0.49) MCHR1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL288073 0.72 SMN1; SMN2 (0.49) MAPK1HSD17B10SMN1; SMN2MAPTALDH1A1

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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