SCHEMBL11780330

SCHEMBL11780330

CC(=O)Nc1ccc(Nc2c(N)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ BDKRB1 P46663 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ P2RY2 P41231 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL11783471 0.89 MEN1 (0.53) MEN1KMT2AGAAGFERPOLB
SCHEMBL11778072 0.85 CA1 (0.46) MEN1KMT2AGAAGFERPOLB
SCHEMBL11780616 0.84 PKM (0.59) MEN1KMT2AGAAGFERBDKRB1
SCHEMBL11780536 0.83 BDKRB1 (0.41) MEN1KMT2AGAAGFERBDKRB1
SCHEMBL11780958 0.82 CA1 (0.55) MEN1KMT2AGAAGFERPOLB
SCHEMBL11846740 0.81 PTK2B (0.56) MEN1KMT2AGAAGFERPOLB
SCHEMBL11777201 0.79 GAA (0.45) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11844827 0.78 LMNA (0.45) KMT2APOLBPKMLMNATSHR
SCHEMBL11781708 0.76 MEN1 (0.48) MEN1KMT2AGAAGFERPOLB
SCHEMBL2883310 0.73 KDM4E (0.52) GAAGFERPOLBMAPTPKM

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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