SCHEMBL9902043

SCHEMBL9902043

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMARCA2 P51531 7/20 0.37
▸ SMARCA4 P51532 6/20 0.37
▸ MALT1 Q9UDY8 2/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIP5K1C O60331 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3C3 Q8NEB9 1/20 0.31
▸ PIK3R4 Q99570 1/20 0.31
▸ PIP5K1A Q99755 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL17271377 0.82 KDM4E (0.36) KDM4EGAAKMT2ASMARCA2SMARCA4
SCHEMBL17271376 0.82 KDM4E (0.36) KDM4EGAAKMT2ASMARCA2SMARCA4
SCHEMBL9901779 0.81 SMARCA2 (0.39) KDM4EGAAKMT2ASMARCA2SMARCA4
SCHEMBL9903032 0.78 RECQL (0.37) KDM4EGAAKMT2A
SCHEMBL9901731 0.77 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902556 0.77 GAA (0.38) KDM4EGAAKMT2AGRM5
SCHEMBL9902516 0.76 GAA (0.40) KDM4EGAAKMT2ATAS1R3TAS1R1
SCHEMBL9903243 0.75 KDM4E (0.58) KDM4EGAAKMT2A
SCHEMBL9902438 0.74 KDM4E (0.41) KDM4EGAAKMT2ASMARCA2SMARCA4
SCHEMBL9902954 0.71 ALDH1A1 (0.41) KDM4EGAAKMT2A

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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