SCHEMBL9902516

SCHEMBL9902516

CC1(C)CCC(NC(=N)Nc2ccccc2Cl)CC(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL9902954 0.86 ALDH1A1 (0.41) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL17271396 0.81 GAA (0.36) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL17271397 0.81 GAA (0.36) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9901795 0.80 P2RX7 (0.36) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9902556 0.79 GAA (0.38) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9903032 0.76 RECQL (0.37) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9902043 0.76 KDM4E (0.39) GAAKDM4EKMT2ATAS1R3TAS1R1
SCHEMBL9902251 0.75 KMT2A (0.51) GAAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9902283 0.74 KDM4E (0.35) GAAKDM4EKMT2AALDH1A1
SCHEMBL9902519 0.74 KDM4E (0.39) GAAKDM4EKMT2AALDH1A1POLB

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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