SCHEMBL30967446

SCHEMBL30967446

CCOc1nccc2ncsc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 7/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
GRM5 P41594 1/20 0.32
NQO1 P15559 1/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL17591352 0.74 PDE3B (0.37) ALDH1A1HSD17B10
SCHEMBL12037152 0.71 HPGD (0.43) LRRK2HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL14437963 0.71 ALDH1A1 (0.35) LRRK2KMT2AMEN1ALDH1A1PKM
SCHEMBL17200301 0.67 AXL (0.48) ALDH1A1HSD17B10
SCHEMBL9934613 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL24469160 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL16151425 0.67 ADORA2A (0.36) ALDH1A1HSD17B10KDM4E
SCHEMBL30278653 0.67 AXL (0.48) ALDH1A1HSD17B10
SCHEMBL18239088 0.67 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL17591346 0.67 ADORA2A (0.34) ALDH1A1HSD17B10

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