SCHEMBL31634042

SCHEMBL31634042

[2H]C([2H])([2H])NC(=O)c1ccc(N)c2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR4 Q13639 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24752653 0.90 BAZ2B (0.37) PARP1LMNAMAPTHTR4
SCHEMBL11957589 0.79 KDM4E (0.44) PARP1LMNAMAPTHTR4KDM4E
SCHEMBL29644689 0.78 KDM4E (0.48) PARP1LMNAMAPTHTR4KDM4E
SCHEMBL10320877 0.78 KDM4E (0.48) PARP1LMNAMAPTHTR4KDM4E
SCHEMBL4882971 0.77 KDM4E (0.41) PARP1LMNAMAPTKDM4EALDH1A1
SCHEMBL18181800 0.77 PARP1 (0.51) PARP1LMNAMAPTHTR4KDM4E
SCHEMBL31634117 0.76 — —
SCHEMBL31634068 0.74 MTNR1B (0.41) —
SCHEMBL11956872 0.74 HTR4 (0.48) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL14995541 0.73 BAZ2B (0.43) PARP1LMNAMAPTHTR4KDM4E

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-120192307-A Compounds targeting p53 mutations 上海齐鲁制药研究中心有限公司 2025-06-24 — — CN disclosed
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