SCHEMBL31070558

SCHEMBL31070558

NC(=O)N1Cc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C1c1c[nH]c2cc(F)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
ICMT O60725 1/20 0.33
RORC P51449 1/20 0.33
CCR2 P41597 1/20 0.32
MAP2 P11137 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
KIF11 P52732 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL31070486 0.93 RORC (0.34) IDO1RORCCCR2KIF11
SCHEMBL31070481 0.85 MAP2 (0.41) IDO1ICMTRORCMAP2PRKAB2
SCHEMBL31083729 0.85 NTRK1 (0.34) IDO1RORCCCR2KIF11
SCHEMBL31070565 0.82 PRKAB2 (0.41) IDO1ICMTMAP2PRKAB2PRKAG1
SCHEMBL31070609 0.81 PRKAB2 (0.42) ICMTMAP2PRKAB2PRKAG1PRKAA2
SCHEMBL31070444 0.80 IDO1 (0.39) IDO1ICMTMAP2KIF11
SCHEMBL31070564 0.78 IDO1 (0.35) IDO1ICMTPRKAB2PRKAG1PRKAA2
SCHEMBL31070485 0.77 MAP2 (0.37) IDO1MAP2
SCHEMBL30593278 0.77 MAP2 (0.40) IDO1ICMTRORCMAP2PRKAB2
SCHEMBL29084778 0.77 MAP2 (0.40) IDO1ICMTRORCMAP2PRKAB2

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed