SCHEMBL9903038

SCHEMBL9903038

CC1(C)CCC(NC(N)=Nc2ccc(F)cc2)CC(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC22A3 O75751 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ RORC P51449 4/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ CFD P00746 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
SCHEMBL9901736 0.85 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9902957 0.81 KDM4E (0.37) KDM4EGAAKMT2ASIGMAR1
SCHEMBL9901424 0.79 NOS1 (0.41) NOS1NOS3SLC22A2SLC22A1SLC22A3
SCHEMBL9902286 0.79 KDM4E (0.35) KDM4EGAAKMT2A
SCHEMBL9903262 0.79 GRIN2D (0.44) NOS1SLC22A2SLC22A1SLC22A3PLAU
SCHEMBL9902519 0.77 KDM4E (0.39) NOS1NOS3KDM4EGAAKMT2A
SCHEMBL9902809 0.76 KDM4E (0.40) KDM4EGAAKMT2A
SCHEMBL9903032 0.75 RECQL (0.37) KDM4EGAAKMT2ARECQL
SCHEMBL9902558 0.74 KDM4E (0.37) KDM4EGAAKMT2A
SCHEMBL16994489 0.72 P2RX7 (0.38) KDM4EGAARORCKMT2ASIGMAR1

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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