SCHEMBL29025627

SCHEMBL29025627

O=C(Cn1ncnn1)c1cc(Br)c(O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA3 P07451 3/20 0.36
▸ CA4 P22748 3/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA5A P35218 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA13 Q8N1Q1 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ CA5B Q9Y2D0 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ ALPL P05186 2/20 0.32

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
SCHEMBL30356530 1.00 POLB (0.42) POLBCA12CA1CA2CA3
SCHEMBL30356513 0.83 POLB (0.41) POLBALDH1A1LMNAMAPT
SCHEMBL29025630 0.83 POLB (0.41) POLBALDH1A1LMNAMAPT
SCHEMBL29025637 0.82 POLB (0.46) POLBALDH1A1LMNAMAPT
SCHEMBL30356535 0.82 POLB (0.46) POLBALDH1A1LMNAMAPT
SCHEMBL29025711 0.81 POLB (0.45) POLBALDH1A1PLAUELANEP2RX7
SCHEMBL6558564 0.80 ALDH1A1 (0.53) POLBCA12CA1CA9ALDH1A1
SCHEMBL29025710 0.77 POLB (0.36) POLB
SCHEMBL30356468 0.75 POLB (0.58) POLBALDH1A1LMNAMAPTPLAU
SCHEMBL1682664 0.75 POLB (0.58) POLBALDH1A1LMNAMAPTPLAU

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
CN-116143717-B Deuterated carbamate compound and application thereof in medicine 康百达(四川)生物医药科技有限公司 2025-05-06 — — CN disclosed
CN-116143717-A Deuterated carbamate compound and application thereof in medicine 成都百裕制药股份有限公司 2023-05-23 — — CN disclosed
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