SCHEMBL27770704

SCHEMBL27770704

N#Cc1ccc(OB(O)O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ NSD3 Q9BZ95 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CHEK1 O14757 3/20 0.34
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ VHL P40337 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 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
SCHEMBL28973750 0.78 ACACB (0.31) —
SCHEMBL2891613 0.74 CHRNB2 (0.37) —
SCHEMBL38660384 0.74 CHRNB2 (0.37) —
SCHEMBL240556 0.74 NQO1 (0.50) PDE10ANQO1POLB
SCHEMBL1145498 0.74 NSD2 (0.38) ARTRPA1NSD2NSD3PDE10A
SCHEMBL10329121 0.73 TRPA1 (0.55) ARTRPA1ALOX5APFEN1SLC40A1
SCHEMBL29620884 0.73 TRPA1 (0.55) ARTRPA1ALOX5APFEN1SLC40A1
SCHEMBL426491 0.72 ENPP2 (0.48) ARPDE10ACHEK1KCNQ3KCNQ2
SCHEMBL5424020 0.72 KMT2A (0.42) —
SCHEMBL22120385 0.72 NSD2 (0.49) NSD2NSD3CHEK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362145-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2025-05-02 — — CN disclosed
WO-2025067457-A1 HETEROCYCLIC FUSED RING COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-04-03 — — WO disclosed
CN-118201926-A Bicyclic PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-06-14 — — CN disclosed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN disclosed
CN-101600720-A Phosphoinositide 3-kinase inhibitor compounds and using method HOFFMANN LA ROCHE (CH) 2009-12-09 — — CN disclosed
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