SCHEMBL28811659

SCHEMBL28811659

COc1ccc(-c2cccc3ccc(N)nc23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.56
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
PTGS2 P35354 4/20 0.48
PTGS1 P23219 2/20 0.48
BACE1 P56817 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL28831226 0.84 MCHR1 (0.41) MCHR1BACE1
SCHEMBL28257280 0.81 MEN1 (0.54) ADORA2AADORA1PTGS2PTGS1MEN1
SCHEMBL27971605 0.77 MCHR1 (0.57) MCHR1BACE1KMT2AHRH4
SCHEMBL1655715 0.73 MCHR1 (1.00) MCHR1
SCHEMBL5305206 0.73 PTGS2 (0.53) ADORA2AADORA1PTGS2PTGS1MEN1
SCHEMBL28158819 0.72 MCHR1 (0.49) MCHR1BACE1MEN1KMT2A
SCHEMBL25129319 0.72 PTGS2 (0.63) ADORA2AADORA1PTGS2PTGS1
SCHEMBL31074324 0.72 PTGS2 (0.63) ADORA2AADORA1PTGS2PTGS1
SCHEMBL3352381 0.71 MCHR1 (0.47) MCHR1BACE1MEN1KMT2A
SCHEMBL3809264 0.71 MCHR1 (0.47) MCHR1BACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530938-A Compounds for the treatment of diseases caused by retroviruses ABIVAX 2016-04-27 CN claimed
CN-104945378-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-09-30 CN claimed
CN-103948594-B Compounds for the treatment of cancer ABIVAX公司 2016-10-26 CN disclosed
CN-105530938-A Compounds for the treatment of diseases caused by retroviruses ABIVAX 2016-04-27 CN disclosed
CN-104945378-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-09-30 CN disclosed
CN-104945379-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-09-30 CN disclosed
CN-104844570-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-08-19 CN disclosed
CN-104844510-A Compounds for the treatment of premature aging and especially premature aging ABIVAX 2015-08-19 CN disclosed
CN-102625804-B Compounds for the treatment of AIDS ABIVAX 2015-04-08 CN disclosed
CN-102596935-B Compounds for the treatment of premature aging and especially premature aging ABIVAX CORP 2015-02-18 CN disclosed
CN-103948594-A Compounds for the treatment of cancer SPLICOS SOC 2014-07-30 CN disclosed
CN-102574835-B Compounds for the treatment of cancer SPLICOS SOC 2014-04-16 CN disclosed