SCHEMBL9902402

SCHEMBL9902402

CC1(C)CC(NC(=NC#N)Nc2ccc(Br)nc2)CC(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37
FPR2 P25090 3/20 0.34
FPR3 P25089 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL16994505 0.87 KDM4E (0.37) KDM4EGAAKMT2ACA1CA2
SCHEMBL9901682 0.87 KDM4E (0.39) KDM4EGAAKMT2A
SCHEMBL9902154 0.85 KDM4E (0.38) KDM4EGAAKMT2AFPR2FPR3
SCHEMBL16994515 0.83 P2RX7 (0.41) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902357 0.82 P2RX7 (0.44) KDM4EGAAKMT2A
SCHEMBL16994510 0.82 P2RX7 (0.44) KDM4EGAAKMT2A
SCHEMBL9902361 0.82 P2RX7 (0.44) KDM4EGAAKMT2A
SCHEMBL16994518 0.81 KDM4E (0.51) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902214 0.81 KDM4E (0.38) KDM4EGAAKMT2ACA1CA2
SCHEMBL9902217 0.81 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