SCHEMBL4684136

SCHEMBL4684136

Nc1ccc(Oc2ccc(NC(=O)O)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
GFER P55789 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK14 Q16539 2/20 0.42
MAOA P21397 1/20 0.42
TEAD4 Q15561 1/20 0.41

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
SCHEMBL5151767 0.83 MAPT (0.50) PARP10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4686393 0.83 PNLIP (0.45) SMN1; SMN2MEN1KMT2AMAPTMAPK14
SCHEMBL20577768 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3561767 0.82 MAPK14 (0.61) MAPK14BRAF
SCHEMBL14949682 0.82 CDK8 (0.58) MAPK14
SCHEMBL4686948 0.80 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4686951 0.80 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4686514 0.79 RAB9A (0.41) ALDH1A1SMN1; SMN2GAAMAPTTDP1
SCHEMBL23355301 0.78 NPC1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4236455 0.78 PKM (0.63) SMN1; SMN2SLC1A3SLC1A2SLC1A1MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed