SCHEMBL30069332

SCHEMBL30069332

CC(C)(C)OC(=O)N[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
PDE4B Q07343 1/20 0.42
SYK P43405 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPIA P62937 1/20 0.40
PARP1 P09874 1/20 0.40
RORC P51449 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
SCHEMBL1467736 1.00 CTSL (0.43) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL30069333 1.00 CTSL (0.43) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL27929780 0.94 MEN1 (0.44) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL27929768 0.94 MEN1 (0.44) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL1467693 0.94 MEN1 (0.44) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL14638218 0.92 MEN1 (0.43) CTSLMEN1KMT2ABACE1SYK
SCHEMBL14650130 0.92 MEN1 (0.43) CTSLMEN1KMT2ABACE1SYK
SCHEMBL7500297 0.90 MEN1 (0.47) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL14828963 0.89 SYK (0.46) CTSLMEN1KMT2ANPSR1HTT
SCHEMBL30923062 0.89 CTSL (0.44) CTSLMEN1KMT2ABACE1SYK

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-2022237649-A1 EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed