SCHEMBL19992126

SCHEMBL19992126

CC(C)(C)OC(=O)N1CCCC1C(=O)N1CC[C@@H]2CN(c3ncnc4sc(CC(F)(F)F)cc34)C[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 0.43
KMT2A Q03164 12/20 0.43
P2RY12 Q9H244 1/20 0.42
KDM1A O60341 6/20 0.41
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21169469 1.00 MEN1 (0.43) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL21169458 1.00 MEN1 (0.43) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL19979444 0.89 P2RY12 (0.51) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL19992122 0.89 MEN1 (0.49) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL21169531 0.89 MEN1 (0.49) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL19992121 0.89 MEN1 (0.49) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL21169624 0.88 MEN1 (0.50) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL21169534 0.88 MEN1 (0.50) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL21160534 0.87 MEN1 (0.54) MEN1KMT2AP2RY12KDM1AMAOA
SCHEMBL19992246 0.85 MEN1 (0.50) MEN1KMT2AP2RY12KDM1AMAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050684-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-03-22 WO disclosed