SCHEMBL29049552

SCHEMBL29049552

NC(N)Cc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
DPP4 P27487 3/20 0.45
DPP7 Q9UHL4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAOB P27338 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
FAP Q12884 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 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
SCHEMBL268390 0.84 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL4669556 0.84 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL3813108 0.84 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL12706136 0.82 IDO1 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL15827644 0.82 IDO1 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL4708284 0.82 IDO1 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL17407618 0.81 IDO1 (0.49) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL4749134 0.81 SLC6A2 (0.51) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL20340777 0.81 IDO1 (0.49) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL15827645 0.81 DPP4 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7

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
CN-116365031-A Electrolyte and lithium ion battery 蜂巢能源科技(无锡)有限公司 2023-06-30 CN claimed
CN-116365031-A Electrolyte and lithium ion battery 蜂巢能源科技(无锡)有限公司 2023-06-30 CN disclosed