SCHEMBL25217287

SCHEMBL25217287

Cc1cc(CN)ccc1C[C]=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CSNK2A3 Q8NEV1 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KLK1 P06870 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ PSIP1 O75475 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL25246970 0.85 BACE1 (0.33) KLKB1BACE1TAAR1CYP1A2CYP2A6
SCHEMBL18656545 0.80 CSNK2A1 (0.46) KLKB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL8141320 0.80 HRH3 (0.40) KLKB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL25240608 0.79 LOXL2 (0.40) CSNK2A2CSNK2BCSNK2A1CSNK2A3GAA
SCHEMBL3074890 0.79 GABRA1 (0.43) —
SCHEMBL25236316 0.77 KDM4E (0.46) GAATAAR1CYP1A2
SCHEMBL4518498 0.77 ALDH1A1 (0.46) GAATAAR1CYP1A2
SCHEMBL1758623 0.76 PYCR1 (0.44) GAATAAR1
SCHEMBL27263781 0.75 SHBG (0.42) KLKB1CSNK2A1HRH3
SCHEMBL23241569 0.73 RXRA (0.49) KLKB1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118354781-A Peptide inhibitors of interleukin-23 receptor 西兰制药公司 2024-07-16 — — CN claimed
WO-2023099669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR ZEALAND PHARMA A/S (DK) 2023-06-08 — — WO claimed
CN-118354781-A Peptide inhibitors of interleukin-23 receptor 西兰制药公司 2024-07-16 — — CN disclosed
WO-2023099669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR ZEALAND PHARMA A/S (DK) 2023-06-08 — — WO disclosed
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