SCHEMBL21285512

SCHEMBL21285512

CN[C@H]1C[C@@H](n2ccc3ccc(N4CCN(c5ccc(C(C)=O)cc5)CC4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PARP1 P09874 3/20 0.40
▸ JAK2 O60674 3/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL21274501 0.83 GPR119 (0.42) TP53PARP1JAK2
SCHEMBL21274200 0.83 GPR119 (0.42) TP53PARP1JAK2
SCHEMBL22801948 0.83 GPR119 (0.42) TP53PARP1JAK2
SCHEMBL21285548 0.83 PARP1 (0.35) PARP1
SCHEMBL22823000 0.83 KMT2A (0.43) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL21285497 0.82 MAPT (0.38) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL22801967 0.82 MAPT (0.40) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL21268737 0.81 MAPT (0.39) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL21268747 0.79 PARP1 (0.39) MAPTSMN1; SMN2ALDH1A1PARP1
SCHEMBL21268749 0.79 PARP1 (0.39) MAPTSMN1; SMN2ALDH1A1PARP1

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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