SCHEMBL11780807

SCHEMBL11780807

CC(=O)Nc1ccc(Nc2c(CC3CC4C=CC3C4)cc(C(=O)O)cc2S(=O)(=O)NC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 4/20 0.34
▸ THRB P10828 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 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
SCHEMBL11778072 0.74 CA1 (0.46) MAPTKDM4ELMNASMN1; SMN2POLB
SCHEMBL11778823 0.70 MAPT (0.58) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11783471 0.65 MEN1 (0.53) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL11780958 0.63 CA1 (0.55) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21525769 0.62 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11782600 0.62 MEN1 (0.43) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL11782595 0.62 MEN1 (0.43) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL11781708 0.62 MEN1 (0.48) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL11799270 0.61 CA1 (0.43) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11780330 0.61 MEN1 (0.47) MAPTLMNASMN1; SMN2POLBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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