SCHEMBL9901676

SCHEMBL9901676

CC1(C)CC(NC(=N)Nc2cccnc2)C(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9901787 0.85 GAA (0.43) TSHREPHX2KMT2AALDH1A1CYP3A4
SCHEMBL9901577 0.85 GAA (0.34) TSHREPHX2KMT2AALDH1A1POLB
SCHEMBL16994485 0.80 P2RX7 (0.43) TSHREPHX2MEN1USP2KMT2A
SCHEMBL19668355 0.80 P2RX7 (0.43) TSHREPHX2MEN1USP2KMT2A
SCHEMBL9905759 0.80 KCNQ3 (0.33) KMT2AKDM4E
SCHEMBL9902706 0.80 KCNQ3 (0.35) KMT2AKDM4E
SCHEMBL9901900 0.79 EPHX2 (0.40) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL9902509 0.79 GAA (0.37) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL9903481 0.79 KMT2A (0.38) TSHREPHX2MEN1KMT2AALDH1A1
SCHEMBL9902746 0.78 OPRM1 (0.37) EPHX2MEN1KMT2AALDH1A1KDM4E

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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