SCHEMBL4542500

SCHEMBL4542500

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 10/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 11/20 0.50
HTT P42858 6/20 0.44
NOD2 Q9HC29 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 5/20 0.42
SORT1 Q99523 1/20 0.42
AGTR1 P30556 4/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL4542493 0.91 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539883 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4537567 0.85 MAPT (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542179 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543628 0.82 SMN1; SMN2 (0.62) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542957 0.79 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4541086 0.79 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543010 0.79 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707559 0.78 SMN1; SMN2 (0.62) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542470 0.78 MAPT (0.66) SMN1; SMN2MAPTMEN1KMT2ANPSR1

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed