SCHEMBL11545452

SCHEMBL11545452

COC(=O)c1cc(N)c(Oc2ccccc2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ GAA P10253 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ GLA P06280 3/20 0.50
▸ ATM Q13315 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CFTR P13569 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL6534866 0.87 CA1 (0.58) USP2ALDH1A1HPGDKDM4EGAA
SCHEMBL2875469 0.86 HPGD (0.52) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL14879772 0.86 USP2 (0.45) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL14879659 0.86 ALDH1A1 (0.51) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL11546125 0.85 POLB (0.55) USP2ALDH1A1HPGDMAPTLMNA
SCHEMBL16577888 0.85 USP2 (0.44) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL11546751 0.84 ALDH1A1 (0.49) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL573278 0.83 ALDH1A1 (0.48) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL11543235 0.83 KDM4E (0.58) USP2TSHRALDH1A1HPGDKDM4E
SCHEMBL11544248 0.82 KMT2A (0.45) USP2TSHRALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041228-B Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2024-03-12 — — CN claimed
CN-116041228-A Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2023-05-02 — — CN claimed
CN-116041228-B Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2024-03-12 — — CN disclosed
CN-116041228-A Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2023-05-02 — — CN disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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