SCHEMBL9902597

SCHEMBL9902597

NC(=NC1CCCN(O)CC1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.47
▸ GRIN3B O60391 2/20 0.47
▸ GRIN1 Q05586 2/20 0.47
▸ GRIN2A Q12879 2/20 0.47
▸ GRIN2B Q13224 2/20 0.47
▸ GRIN2C Q14957 2/20 0.47
▸ GRIN3A Q8TCU5 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL9901561 0.86 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9901465 0.81 MEN1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902660 0.78 TBXA2R (0.43) LMNANPC1RAB9AHPGDPOLB
SCHEMBL9902996 0.74 MEN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902971 0.72 ROCK2 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9902595 0.68 SMN1; SMN2 (0.47) KMT2ALMNATDP1NPC1RAB9A
SCHEMBL2740848 0.67 HPGD (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14755313 0.66 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL249533 0.66 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14739674 0.66 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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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