SCHEMBL23929224

SCHEMBL23929224

O=Cc1cc(CCc2ccccc2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ BACE1 P56817 2/20 0.43
▸ DAO P14920 2/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HCAR3 P49019 1/20 0.37

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
SCHEMBL23929231 0.83 HTR2A (0.40) KCNH2DAOHCAR2ALDH1A1GPR84
SCHEMBL13495125 0.75 L3MBTL1 (0.47) KCNH2BACE1DAOHPGDESR1
SCHEMBL64650 0.75 BACE1 (0.49) KCNH2BACE1DAOALDH1A1ESR1
SCHEMBL28809834 0.75 AKR1B1 (0.50) KCNH2BACE1DAOHPGDMAOB
SCHEMBL17672395 0.75 HCAR2 (0.60) KCNH2DAOHCAR2HCAR3
SCHEMBL23929223 0.75 KCNH2 (0.43) KCNH2BACE1DAOHCAR2ESR1
SCHEMBL27768180 0.74 RAB9A (0.52) KCNH2BACE1DAOALDH1A1HPGD
SCHEMBL14719095 0.73 DAO (0.55) KCNH2BACE1DAOHCAR2GPR84
SCHEMBL15964734 0.72 HCAR3 (0.47) KCNH2BACE1DAOHCAR2LMNA
SCHEMBL24622014 0.71 KCNH2 (0.43) KCNH2BACE1DAOHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139275-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF Syneurx International (Taiwan) Corp. (TW) 2023-03-01 — — EP disclosed
WO-2021213500-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) 2021-10-28 — — WO disclosed
Send feedback