SCHEMBL31568280

SCHEMBL31568280

COc1ccc(CN2c3ccc(Br)cc3CCS2(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
MDH2 P40926 1/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CMA1 P23946 1/20 0.38
PARK7 Q99497 1/20 0.37
METAP2 P50579 1/20 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
SCHEMBL31028862 0.88 METAP2 (0.45) LMNAMDH2MMP1MMP2MMP9
SCHEMBL31568226 0.83 RAB9A (0.49) ALDH1A1MAPTALOX15
SCHEMBL31568241 0.77 LMNA (0.45) LMNAMDH2MMP1MMP9MMP13
SCHEMBL30714199 0.77 L3MBTL1 (0.41) MDH2MMP1MMP2MMP9MMP13
SCHEMBL31503371 0.77 MMP1 (0.38) LMNAMMP1MMP2MMP9MMP13
SCHEMBL26088987 0.76 HDAC1 (0.65) HDAC1HDAC6MDH2HDAC8ALDH1A1
SCHEMBL12329247 0.74 LMNA (0.43) LMNAMDH2MMP1MMP9MMP13
SCHEMBL1556025 0.74 HDAC1 (0.60) HDAC1HDAC6HDAC8
SCHEMBL31568211 0.73 MAPT (0.44) LMNAMDH2PIK3R1PIK3CAKDM4E
SCHEMBL31568208 0.73 MAPT (0.42) LMNAMDH2MMP1MMP2MMP9

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-4587438-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BeiGene Switzerland GmbH (CH) 2025-07-23 EP disclosed
CN-119894890-A Bicyclic compounds as CDK inhibitors 百济神州(苏州)生物科技有限公司 2025-04-25 CN disclosed