SCHEMBL9903481

SCHEMBL9903481

CC1(C)CC(NC(=N)Nc2cccc(Cl)c2)C(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 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
SCHEMBL9901445 0.88 EPHX2 (0.33) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL9902509 0.86 GAA (0.37) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL9901900 0.86 EPHX2 (0.40) KMT2AMEN1ALDH1A1EPHX2NPC1
SCHEMBL9901704 0.85 EPHX2 (0.36) LMNAALDH1A1MAPTHTTEPHX2
SCHEMBL9901577 0.85 GAA (0.34) KMT2ALMNAALDH1A1MAPTTSHR
SCHEMBL9901779 0.81 SMARCA2 (0.39) KMT2A
SCHEMBL9901676 0.79 TSHR (0.40) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL9901795 0.78 P2RX7 (0.36) KMT2AMEN1LMNAALDH1A1EPHX2
SCHEMBL9902706 0.78 KCNQ3 (0.35) KMT2A
SCHEMBL9901421 0.78 EPHX2 (0.36) KMT2AALDH1A1MAPTHTTEPHX2

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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