SCHEMBL29846578

SCHEMBL29846578

Cn1cc(C(=O)NCC2=NOC(Cc3ccccc3)C2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ CNR1 P21554 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ KLKB1 P03952 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
SCHEMBL29846797 0.89 HDAC3 (0.41) BCHEACHEBRD4LMNACNR1
SCHEMBL29846496 0.88 LMNA (0.45) BCHEACHEBRD4LMNACNR1
SCHEMBL29846819 0.82 ALDH1A1 (0.50) LMNAHDAC1ALDH1A1TSHR
SCHEMBL29846668 0.82 KLKB1 (0.42) BRD4ALDH1A1KLKB1
SCHEMBL29846864 0.82 NR3C1 (0.43) LMNA
SCHEMBL29846595 0.82 EZH2 (0.49) LMNACNR1
SCHEMBL29846830 0.80 HTR4 (0.54) —
SCHEMBL29846482 0.79 LMNA (0.51) LMNAKLKB1
SCHEMBL29846664 0.78 KMT2A (0.50) LMNATP53ALDH1A1KMT2A
SCHEMBL29846951 0.77 CHRNB2 (0.57) LMNAKMT2ANPSR1

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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