SCHEMBL31042180

SCHEMBL31042180

CONC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTPN11 Q06124 1/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ SMPD3 Q9NY59 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ KIT P10721 1/20 0.41

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
SCHEMBL25235268 1.00 BACE1 (0.50) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22912731 0.88 BACE1 (0.52) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30212537 0.88 BACE1 (0.52) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30297083 0.87 NR1H2 (0.49) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24157379 0.87 NR1H2 (0.49) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24156519 0.85 BACE1 (0.49) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30212542 0.85 BACE1 (0.49) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29221502 0.85 BACE1 (0.47) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27202606 0.84 CKS1B (0.49) BACE1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25234852 0.84 BACE1 (0.48) BACE1SMN1; SMN2MAPTMEN1KMT2A

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
CN-118696036-A PARP1 inhibitors 突触活化疗法股份有限公司 2024-09-24 — — CN disclosed
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