SCHEMBL30713232

SCHEMBL30713232

NNC(=O)c1nnc2c(Br)cc(SCc3ccccc3)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 2/20 0.36
NCOR1 O75376 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA6 P23280 2/20 0.36

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
SCHEMBL30713208 0.87 KDM4E (0.39) MAPTHDAC8HDAC3NCOR1HDAC1
SCHEMBL30687474 0.85 HTT (0.33) HTTMAPTNPSR1HDAC8HDAC3
SCHEMBL30713258 0.82 HTT (0.37) HTTMAPTNPSR1HDAC8HDAC3
SCHEMBL30713218 0.82 NPC1 (0.42) MAPTNPSR1KDM4EMEN1KMT2A
SCHEMBL30713203 0.74 ALDH1A1 (0.39) HTTMAPTNPSR1MEN1KMT2A
SCHEMBL31258801 0.72 ALDH1A1 (0.38) HTTHDAC8HDAC3NCOR1HDAC1
SCHEMBL31049474 0.72 CXCR2 (0.38) HTTMAPTHDAC8HDAC3NCOR1
SCHEMBL30713239 0.72 ALDH1A1 (0.43) HTTMAPTKDM4EMEN1KMT2A
SCHEMBL31258770 0.72 KDM4E (0.37) HTTMAPTNPSR1KDM4EMEN1
SCHEMBL31258741 0.71 EPHB3 (0.38) MAPTHDAC8HDAC3NCOR1HDAC1

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-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed
CN-117304183-A Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2023-12-29 CN disclosed