SCHEMBL9133983

SCHEMBL9133983

N#CCCN(CCC#N)c1ccc2c(c1)N(c1ccccc1)c1cc(NC(=O)c3ccc(S(=O)(=O)c4ccccc4)cc3)ccc1N2C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PRMT1 Q99873 3/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ SETD7 Q8WTS6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL10723345 0.90 LMNA (0.35) KMT2AMEN1HPGDLMNAMAPK1
SCHEMBL10524727 0.78 L3MBTL1 (0.45) KMT2AMEN1HPGDMAPTLMNA
SCHEMBL11325806 0.69 KCNK3 (0.55) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL9812765 0.67 MEN1 (0.48) KMT2AMEN1HPGDMAPTLMNA
SCHEMBL11335964 0.65 SIRT2 (0.49) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL11759949 0.64 KCNK3 (0.50) KMT2AMEN1HPGDMAPTLMNA
SCHEMBL11154551 0.63 POLB (0.52) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL12955998 0.60 MEN1 (0.41) KMT2AMEN1HPGDMAPTLMNA
SCHEMBL13019565 0.59 MEN1 (0.47) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL11325856 0.59 ALDH1A1 (0.45) KMT2AMEN1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428161-A Having at least one electron-withdrawing substituent on at least one of the groups attached to the amine groups at the 3- and 7-positions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-27 — — US disclosed
EP-0244399-B1 NOVEL PHENAZINE DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-30 — — EP disclosed
EP-0339869-A2 Novel phenazine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-11-02 — — EP disclosed
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