SCHEMBL18397997

SCHEMBL18397997

CC1(C)CC(c2nccc(N)c2[N+](=O)[O-])CC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
ROCK1 Q13464 2/20 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
SCHEMBL28232725 0.81 MEN1 (0.37) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL18393416 0.81 MEN1 (0.34) MEN1KMT2ALMNAMAPT
SCHEMBL28232714 0.77 CDK2 (0.40) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL8563511 0.75 MKNK1 (0.36) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL31302371 0.74 NPC1 (0.34) ALDH1A1MAPT
SCHEMBL8560628 0.71 MEN1 (0.35) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL5126783 0.68 PKM (0.42) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL3688848 0.67 MAPT (0.47) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL8561095 0.66 MEN1 (0.42) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL18486948 0.66 KMT2A (0.42) MEN1USP2KMT2AKEAP1NFE2L2

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-3325451-A1 FUSED IMIDAZOLES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012967-A1 FUSED IMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed