SCHEMBL11547129

SCHEMBL11547129

CCOC(=O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ THRB P10828 3/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ USP10 Q14694 1/20 0.38

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
SCHEMBL573292 0.88 VCAM1 (0.47) ALDH1A1MAPTPKMPOLBLMNA
SCHEMBL573293 0.88 VCAM1 (0.47) ALDH1A1MAPTPKMPOLBLMNA
SCHEMBL11542928 0.84 HCAR3 (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14879872 0.82 THRB (0.54) KMT2AMEN1THRBALDH1A1MAPT
SCHEMBL11855920 0.81 ALDH1A1 (0.50) KMT2AMEN1THRBALDH1A1MAPT
SCHEMBL11541849 0.79 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL2655338 0.79 KMT2A (0.57) KMT2AMEN1THRBALDH1A1MAPT
SCHEMBL10606064 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL21436496 0.74 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL21436495 0.74 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTNPC1

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
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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