SCHEMBL21285529

SCHEMBL21285529

CNC1CC(n2c(=O)n(C3COC3)c3ccc(N4CCN(c5ccc(C(C)=O)cc5)CC4)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ TP53 P04637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL21274292 1.00 MAPT (0.38) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21274294 1.00 MAPT (0.38) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21274343 0.86 MAPT (0.42) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL21274097 0.86 KMT2A (0.39) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21274341 0.86 MAPT (0.42) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL21273953 0.82 MAPT (0.37) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21273952 0.82 MAPT (0.37) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21274166 0.81 GPR119 (0.52) MAPTKMT2AMEN1ALDH1A1
SCHEMBL22823000 0.81 KMT2A (0.43) MAPTSMN1; SMN2JAK2FLT3KMT2A
SCHEMBL21285512 0.77 KMT2A (0.43) MAPTSMN1; SMN2JAK2FLT3KMT2A

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-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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