SCHEMBL9902746

SCHEMBL9902746

CC1(C)CC(NC(=N)Nc2ccc(Br)cc2)C(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ FPR2 P25090 8/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ FPR3 P25089 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL9901704 0.87 EPHX2 (0.36) L3MBTL1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL9901421 0.87 EPHX2 (0.36) L3MBTL1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL9901577 0.86 GAA (0.34) L3MBTL1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL9902509 0.85 GAA (0.37) TDP1L3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL9901787 0.84 GAA (0.43) L3MBTL1KDM4EKMT2ALMNAALDH1A1
SCHEMBL9903261 0.84 KDM4E (0.42) OPRM1OPRD1TDP1L3MBTL1KDM4E
SCHEMBL9901584 0.80 HCRTR2 (0.35) TDP1L3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL9902706 0.79 KCNQ3 (0.35) KDM4EFPR2FPR3KMT2A
SCHEMBL9905759 0.79 KCNQ3 (0.33) KDM4EKMT2A
SCHEMBL9901445 0.79 EPHX2 (0.33) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A

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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