SCHEMBL9902968

SCHEMBL9902968

N=C(Nc1ccncc1)NC1CCN(O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ USP30 Q70CQ3 4/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL9903173 0.91 EPHX1 (0.47) EPHX1MDM2EPHX2TDP1ROCK2
SCHEMBL9902315 0.86 EPHX1 (0.49) EPHX1MDM2EPHX2L3MBTL1NAMPT
SCHEMBL9901557 0.85 CTSL (0.46) EPHX1USP30EPHX2CTSLCTSB
SCHEMBL9902487 0.84 ALDH1A1 (0.47) EPHX2
SCHEMBL9901315 0.76 ALDH1A1 (0.50) EPHX1EPHX2TDP1CTSLCTSB
SCHEMBL9902657 0.75 ALDH1A1 (0.52) EPHX2
SCHEMBL9901727 0.74 SCN10A (0.38) —
SCHEMBL9903243 0.73 KDM4E (0.58) EPHX1MDM2EPHX2ROCK2ROCK1
SCHEMBL9902595 0.71 SMN1; SMN2 (0.47) EPHX1EPHX2TDP1CTSLCTSB
SCHEMBL9903230 0.71 ALDH1A1 (0.54) EPHX2

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 3 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
CN-103347856-A Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC 2013-10-09 — — CN disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 — — WO disclosed
Send feedback