SCHEMBL9901779

SCHEMBL9901779

CC1(C)CC(NC(=N)Nc2ccnc(Cl)c2)C(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.39
▸ SMARCA4 P51532 8/20 0.39
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ GRM5 P41594 3/20 0.32
▸ AR P10275 1/20 0.32
▸ PIK3CD O00329 1/20 0.30
▸ PIP5K1C O60331 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3C3 Q8NEB9 1/20 0.30
▸ PIK3R4 Q99570 1/20 0.30
▸ PIP5K1A Q99755 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL9901787 0.83 GAA (0.43) KDM4EGAAKMT2A
SCHEMBL9902706 0.83 KCNQ3 (0.35) KDM4EGAAKMT2A
SCHEMBL9903481 0.81 KMT2A (0.38) KMT2A
SCHEMBL9902043 0.81 KDM4E (0.39) SMARCA2SMARCA4KDM4EGAAKMT2A
SCHEMBL9901445 0.81 EPHX2 (0.33) GAAKMT2A
SCHEMBL9901704 0.81 EPHX2 (0.36) GAA
SCHEMBL9901577 0.78 GAA (0.34) KDM4EGAAKMT2A
SCHEMBL9902509 0.77 GAA (0.37) KDM4EGAAKMT2AGRM5
SCHEMBL9901900 0.77 EPHX2 (0.40) GAAKMT2A
SCHEMBL9901676 0.77 TSHR (0.40) KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 — — EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 — — WO disclosed
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