SCHEMBL28498709

SCHEMBL28498709

CCCCCCCCCCCCCCCCCCCCCCOc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.62
▸ PTPN1 P18031 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ TTR P02766 1/20 0.47
▸ ELANE P08246 2/20 0.47
▸ POLM Q9NP87 1/20 0.45
▸ POLK Q9UBT6 1/20 0.45
▸ POLL Q9UGP5 1/20 0.45
▸ POLH Q9Y253 1/20 0.45

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
SCHEMBL28851017 0.97 KCNA3 (0.58) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL27604497 0.94 KCNA3 (0.71) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL20678449 0.94 KCNA3 (0.71) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL918577 0.92 KCNA3 (0.63) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL2920541 0.89 KCNA3 (0.55) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL28986871 0.88 KCNA3 (0.70) KCNA3PTPN1MEN1LMNAMAPT
SCHEMBL27677167 0.87 MEN1 (0.50) KCNA3MEN1NR1I2LMNACHRM2
SCHEMBL16076555 0.85 KCNA3 (0.62) KCNA3PTPN1MEN1MAPTKMT2A
SCHEMBL27747563 0.85 CYP1A2 (0.49) KCNA3PTPN1MEN1NR1I2LMNA
SCHEMBL5750330 0.81 KCNA3 (0.61) KCNA3MEN1LMNAMAPTKMT2A

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-111971293-A Peptide synthesis method JITSUBO株式会社 2020-11-20 — — CN disclosed
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