SCHEMBL11784962

SCHEMBL11784962

Nc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ PTK2B Q14289 1/20 0.42
▸ KEAP1 Q14145 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL11841803 0.92 L3MBTL1 (0.50) L3MBTL1KMT2AMEN1GPR55PTK2B
SCHEMBL11780992 0.92 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1GPR55PTK2B
SCHEMBL11777320 0.89 CISD1 (0.49) L3MBTL1CISD1JAK3IRAK4LMNA
SCHEMBL11781708 0.88 MEN1 (0.48) L3MBTL1KMT2AMEN1GPR55PTK2B
SCHEMBL11777521 0.85 ALDH1A1 (0.45) KMT2AMEN1CISD1LMNAMAPT
SCHEMBL11841241 0.82 CISD1 (0.53) L3MBTL1CISD1JAK3IRAK4LMNA
SCHEMBL11780536 0.81 BDKRB1 (0.41) L3MBTL1KMT2AMEN1HTTLMNA
SCHEMBL11846910 0.80 CISD1 (0.48) L3MBTL1HTTCISD1JAK3IRAK4
SCHEMBL11853856 0.80 CISD1 (0.54) L3MBTL1KMT2AMEN1CISD1JAK3
SCHEMBL11845448 0.80 ALOX15 (0.47) KMT2AMEN1LMNAMAPTPOLB

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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