SCHEMBL9901650

SCHEMBL9901650

CC1(C)CC(N/C(=N/C#N)Nc2ccc(Cl)c(Cl)c2)C(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL9901652 1.00 QPCT (0.37) QPCTUSP30MEN1KMT2ANPC1
SCHEMBL16994506 1.00 QPCT (0.37) QPCTUSP30MEN1KMT2ANPC1
SCHEMBL17271382 0.86 GRM4 (0.32) —
SCHEMBL17271383 0.86 GRM4 (0.32) —
SCHEMBL16994490 0.86 GRM4 (0.32) —
SCHEMBL16994522 0.84 MAPT (0.34) MEN1KMT2AMAPTHTTEPHX1
SCHEMBL17271387 0.84 MAPT (0.34) MEN1KMT2AMAPTHTTEPHX1
SCHEMBL9901575 0.84 MAPT (0.34) MEN1KMT2AMAPTHTTEPHX1
SCHEMBL9901674 0.84 FPR2 (0.34) QPCTRAB9ASMN1; SMN2
SCHEMBL16994496 0.84 P2RX7 (0.39) MEN1KMT2ARAB9ALMNAMAPT

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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