SCHEMBL9901448

SCHEMBL9901448

CC1(C)CC(NC(N)=Nc2cc(Cl)cc(Cl)c2)C(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.38
▸ HTR3B O95264 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ HTR3D Q70Z44 2/20 0.38
▸ HTR3C Q8WXA8 2/20 0.38
▸ ITGB3 P05106 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL9903487 0.88 KMT2A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901710 0.87 ALDH1A1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901780 0.83 KDM4E (0.34) GAAKDM4EKMT2A
SCHEMBL9902710 0.82 ADRA2A (0.45) GAAKDM4EKMT2A
SCHEMBL9901424 0.80 NOS1 (0.41) GAAL3MBTL1SIGMAR1
SCHEMBL9902748 0.80 GRIN2D (0.42) GAAL3MBTL1SIGMAR1
SCHEMBL9902512 0.79 SIGMAR1 (0.42) SIGMAR1
SCHEMBL9901901 0.78 SIGMAR1 (0.36) L3MBTL1KDM4ESIGMAR1
SCHEMBL9901797 0.78 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9905760 0.77 ADRA2A (0.33) GAAKDM4EKMT2A

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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