SCHEMBL21285520

SCHEMBL21285520

CNC1CC(n2cc(Br)c3ccc(N4CCN(C(C)=O)CC4)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.38
▸ BPTF Q12830 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 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
SCHEMBL22823018 1.00 MAP4K4 (0.38) MAP4K4BPTFNPC1RAB9ACKS1B
SCHEMBL21268723 0.80 GPR119 (0.39) TP53
SCHEMBL21268721 0.80 GPR119 (0.39) TP53
SCHEMBL22801998 0.80 PDE10A (0.36) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL22801999 0.80 PDE10A (0.36) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL22822764 0.80 PDE10A (0.36) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL21273936 0.79 AOC3 (0.39) AOC3RETKIF5BKDR
SCHEMBL21273935 0.79 AOC3 (0.39) AOC3RETKIF5BKDR
SCHEMBL21268734 0.73 MAPT (0.39) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL21274387 0.73 PRKAA2 (0.35) —

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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