SCHEMBL31070481

SCHEMBL31070481

NC(=O)N1Cc2cc(-c3ccccc3)ccc2C1c1c[nH]c2cc(F)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.41
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
ICMT O60725 2/20 0.36
IDO1 P14902 2/20 0.35
RORC P51449 3/20 0.35
FFAR2 O15552 2/20 0.33
PYGL P06737 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
KIF11 P52732 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B3 P37058 1/20 0.32

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
SCHEMBL31070564 0.92 IDO1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29084778 0.91 MAP2 (0.40) MAP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30593278 0.91 MAP2 (0.40) MAP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31070609 0.90 PRKAB2 (0.42) MAP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31070565 0.89 PRKAB2 (0.41) MAP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31070444 0.88 IDO1 (0.39) MAP2ICMTIDO1PYGLKIF11
SCHEMBL31070518 0.86 KIF11 (0.43) MAP2ICMTIDO1IKBKBCHUK
SCHEMBL31070544 0.86 ICMT (0.43) MAP2ICMTIDO1
SCHEMBL31070558 0.85 IDO1 (0.34) MAP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31070623 0.84 ECE1 (0.40) KIF11

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