SCHEMBL29917415

SCHEMBL29917415

COC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.52
SLC6A4 P31645 3/20 0.52
CFTR P13569 1/20 0.48
PDK2 Q15119 1/20 0.45
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
BACE1 P56817 1/20 0.44
SLC6A2 P23975 1/20 0.43
KLRK1 P26718 3/20 0.43
MICA Q29983 3/20 0.43
RAET1L Q5VY80 3/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
APOB P04114 2/20 0.42
MTTP P55157 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL29979725 0.87 SLC6A3 (0.69) SLC6A3SLC6A4CFTRPDK2BACE1
SCHEMBL10645473 0.87 SLC6A3 (0.69) SLC6A3SLC6A4CFTRPDK2BACE1
SCHEMBL18296883 0.84 SLC6A3 (0.51) SLC6A3SLC6A4PDK2PDCD1CD274
SCHEMBL24665233 0.84 SLC6A3 (0.74) SLC6A3SLC6A4PDK2PDCD1CD274
SCHEMBL2745460 0.84 CYP2C8 (0.49) BACE1KLRK1MICARAET1L
SCHEMBL30012190 0.84 SLC6A3 (0.74) SLC6A3SLC6A4PDK2PDCD1CD274
SCHEMBL1885577 0.82 PARP1 (0.50) PDK2BACE1KLRK1MICARAET1L
SCHEMBL5533081 0.82 PDCD1 (0.60) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL29918042 0.82 PDCD1 (0.60) SLC6A3SLC6A4PDCD1CD274SLC6A2
SCHEMBL20200106 0.81 KDM4E (0.60) SLC6A3SLC6A4PDCD1CD274SLC6A2

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-111978200-B Biphenylamide derivative, preparation method and application 湖北省生物农药工程研究中心 2022-09-13 CN disclosed