SCHEMBL1115437

SCHEMBL1115437

CNc1ccc2c(c1)cc(C(F)(F)F)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 5/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ PDK2 Q15119 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ AR P10275 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ MTTP P55157 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ BRD1 O95696 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.31
▸ BRPF3 Q9ULD4 1/20 0.31

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
SCHEMBL18537527 0.76 KIF11 (0.53) KIF11GAAMAPTMTTPKMT2A
SCHEMBL8899522 0.76 RXFP1 (0.43) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL31435622 0.76 MCL1 (0.50) SMN1; SMN2MAPTMEN1MAPK1KMT2A
SCHEMBL12900640 0.73 KDM4E (0.31) MAPTRXFP1ALDH1A1KDM4EHPGD
SCHEMBL8898917 0.73 KMT2A (0.48) BRPF1KIF11MAPTMEN1KMT2A
SCHEMBL1113031 0.72 XDH (0.41) BRPF1KIF11BRD4BRD1BRD9
SCHEMBL27684724 0.71 THRB (0.50) SMN1; SMN2GAATHRBMAPTRXFP1
SCHEMBL12320558 0.68 KIF11 (0.36) KIF11
SCHEMBL12320518 0.68 KIF11 (0.36) KIF11
SCHEMBL12320842 0.67 KIF11 (0.44) KIF11MAPTNPY5RMEN1MAPK1

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
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 — — EP disclosed
Send feedback