SCHEMBL9902803

SCHEMBL9902803

CC1(C)CC(NC(=N)Nc2ccc(F)nc2)CC(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRM4 Q14833 1/20 0.35
▸ KCNQ3 O43525 2/20 0.34
▸ KCNQ2 O43526 2/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ PDE9A O76083 1/20 0.32
▸ EGFR P00533 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL9901731 0.92 KDM4E (0.35) GAAKDM4EKMT2AGRM4KCNQ3
SCHEMBL9905759 0.86 KCNQ3 (0.33) GAAKDM4EKMT2AGRM4KCNQ3
SCHEMBL16994505 0.80 KDM4E (0.37) GAAKDM4EKMT2AGRM4KCNQ3
SCHEMBL9903243 0.78 KDM4E (0.58) GAAKDM4EKMT2ACA1CA2
SCHEMBL9903261 0.78 KDM4E (0.42) GAAKDM4EKMT2ACA1CA2
SCHEMBL9903032 0.78 RECQL (0.37) GAAKDM4EKMT2ANPC1ALDH1A1
SCHEMBL9902470 0.76 KDM4E (0.41) GAAKDM4EKMT2ACA1CA2
SCHEMBL9905735 0.75 KDM4E (0.48) GAAKDM4EKMT2ACA1CA2
SCHEMBL17271391 0.74 KCNJ11 (0.33) GAAKDM4EKMT2A
SCHEMBL16994487 0.74 KCNJ11 (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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