SCHEMBL9901540

SCHEMBL9901540

CC1(C)CC(NC(=NC#N)Nc2ccnc(Br)c2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AR P10275 4/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL9902819 0.93 KDM4E (0.34) KDM4EGAAKMT2AARSLC6A2
SCHEMBL9902168 0.88 AR (0.32) ARSLC6A2SLC6A4SLC6A3
SCHEMBL9902171 0.88 AR (0.32) ARSLC6A2SLC6A4SLC6A3
SCHEMBL16994493 0.88 KDM4E (0.39) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902438 0.88 KDM4E (0.41) KDM4EGAAKMT2AARCA1
SCHEMBL16994518 0.85 KDM4E (0.51) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902402 0.84 KDM4E (0.37) KDM4EGAAKMT2ASLC6A2SLC6A4
SCHEMBL18727708 0.83 EGFR (0.36) KDM4EGAAKMT2ACA1CA2
SCHEMBL18727707 0.83 EGFR (0.36) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902154 0.82 KDM4E (0.38) KDM4EGAAKMT2ACA1CA2

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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