SCHEMBL29050427

SCHEMBL29050427

COc1ccc(Cn2nc(C)c(Br)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ELANE P08246 1/20 0.50
MCL1 Q07820 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
CMA1 P23946 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL22435185 0.84 ALDH1A1 (0.44) ALDH1A1ELANEMCL1CYP1A2CYP3A4
SCHEMBL16832321 0.81 GAA (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25333925 0.80 PTGER4 (0.47) ALDH1A1ELANEMCL1MAPTALOX15
SCHEMBL15724362 0.80 ALDH1A1 (0.47) ALDH1A1ELANEMCL1CYP1A2CYP3A4
SCHEMBL22435183 0.80 CNR1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18483483 0.78 RAB9A (0.61) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3320584 0.78 CMA1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29185656 0.77 PTGDR2 (0.53) ALDH1A1PTGDR2GAAGFERSMN1; SMN2
SCHEMBL30522544 0.77 CYP1A2 (0.68) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16832564 0.76 RAB9A (0.77) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
EP-4157828-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed