SCHEMBL6776577

SCHEMBL6776577

NC(=O)C#Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
FFAR1 O14842 1/20 0.46
KCNN4 O15554 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR183 P32249 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GRM5 P41594 2/20 0.38
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GFER P55789 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
SCHEMBL6574954 0.80 APP (0.52) APPALDH1A1PTPN1NPC1RAB9A
SCHEMBL3151444 0.80 FFAR1 (0.52) APPFFAR1GPR183CES2CES1
SCHEMBL6774688 0.78 NPC1 (0.42) ALDH1A1GPR183CES2CES1NPC1
SCHEMBL22905187 0.78 APP (0.53) APPFFAR1ALDH1A1GPR183CES2
SCHEMBL21066942 0.78 GPR183 (0.40) ALDH1A1GPR183CES2CES1CA1
SCHEMBL8443849 0.78 APP (0.49) APPFFAR1ALDH1A1GPR183CES2
SCHEMBL6781061 0.78 VCP (0.52) FFAR1ALDH1A1CES2CES1GRM5
SCHEMBL8024378 0.78 CES2 (0.45) ALDH1A1GPR183CES2CES1PTPN1
SCHEMBL3696839 0.77 NPSR1 (0.55) APPFFAR1ALDH1A1GRM5NPC1
SCHEMBL11493249 0.77 APP (0.47) APPFFAR1GPR183CES2CES1

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
WO-2023274246-A1 AMIDE COMPOUND AND USE THEREOF 成都分迪药业有限公司 2023-01-05 WO disclosed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed