SCHEMBL31070486

SCHEMBL31070486

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
IDO1 P14902 1/20 0.34
CCR2 P41597 1/20 0.34
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
KIF11 P52732 1/20 0.32
SCN9A Q15858 1/20 0.30
NOTUM Q6P988 1/20 0.30
TDO2 P48775 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
SCHEMBL31070558 0.93 IDO1 (0.34) RORCIDO1CCR2KIF11
SCHEMBL31083729 0.91 NTRK1 (0.34) RORCIDO1CCR2NTRK1FLT3
SCHEMBL31070564 0.84 IDO1 (0.35) IDO1KIF11TDO2
SCHEMBL31070454 0.81 PRKAB2 (0.43) IDO1
SCHEMBL31070447 0.80 PRKAB2 (0.38)
SCHEMBL31070641 0.78 IDO1 (0.39) IDO1CCR2KIF11TDO2
SCHEMBL31070481 0.78 MAP2 (0.41) RORCIDO1KIF11
SCHEMBL30593229 0.75 ESR1 (0.39) IDO1KIF11SCN9A
SCHEMBL31070636 0.75 IDO1 (0.34) IDO1
SCHEMBL31070544 0.74 ICMT (0.43) IDO1

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