SCHEMBL30967111

SCHEMBL30967111

Cc1c[n+]([O-])n(-c2ccc(Br)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ USP2 O75604 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ POLB P06746 4/20 0.47
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ AHR P35869 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30967120 0.71 TSHR (0.40) MEN1USP2KMT2ATDP1POLB
SCHEMBL11548719 0.68 KMT2A (0.50) MEN1USP2KMT2ATDP1POLB
SCHEMBL2016026 0.67 FAAH (0.31) TSHRAHR
SCHEMBL3280066 0.62 NPC1 (0.61) TSHRGAAMAPTRECQLNPC1
SCHEMBL5544146 0.62 HTT (0.56) MEN1USP2KMT2ATSHRGAA
SCHEMBL4231163 0.60 MAPT (0.59) TDP1TSHRGAAMAPTRECQL
SCHEMBL12099730 0.60 TSHR (0.39) MEN1KMT2APOLBTSHRGAA
SCHEMBL24185552 0.58 CA1 (0.49) MEN1KMT2APOLBTSHRGAA
SCHEMBL11748979 0.58 CYP1A2 (0.68) MEN1KMT2APOLBTSHRGAA
SCHEMBL24185323 0.57 NPC1 (0.56) MEN1KMT2ATDP1POLBTSHR

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-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 — — EP disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 — — WO disclosed
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