SCHEMBL29863196

SCHEMBL29863196

COc1cc(C(F)(F)F)c(CN(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
POLB P06746 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL23249384 1.00 GAA (0.50) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL29610740 0.85 GAA (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL21459396 0.85 GAA (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL3785348 0.81 MAPT (0.48) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL29863514 0.80 MAPT (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL21459364 0.80 MAPT (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL31088906 0.79 GAA (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL23248955 0.78 ALDH1A1 (0.41) GAAMEN1KMT2AMAPTPOLB
SCHEMBL31089303 0.77 MAPT (0.43) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL21027835 0.73 MEN1 (0.47) GAAMEN1KMT2ANPSR1MAPT

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-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed
EP-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed