SCHEMBL6657726

SCHEMBL6657726

COc1ccc(O)c(OC)c1CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
MGAM O43451 4/20 0.53
SI P14410 4/20 0.53
MGAM2 Q2M2H8 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 3/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.49
HTR2C P28335 1/20 0.49
MIF P14174 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMO Q99835 1/20 0.48
MTNR1A P48039 1/20 0.48

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
SCHEMBL6657213 0.87 FLT3 (0.54) GAAMGAMSIMGAM2MEN1
SCHEMBL6661201 0.86 FLT3 (0.58) GAAMEN1KMT2APOLBKDM4E
SCHEMBL6657806 0.84 DRD2 (0.54) GAAMGAMSIMGAM2MEN1
SCHEMBL17206255 0.82 MEN1 (0.60) GAAMGAMSIMGAM2MEN1
SCHEMBL6657486 0.80 MTNR1A (0.57) GAAMEN1KMT2APOLBKDM4E
SCHEMBL6661461 0.79 ROCK2 (0.59) GAAMEN1KMT2APOLBKDM4E
SCHEMBL6664487 0.78 KDM4E (0.55) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL4108942 0.76 PDGFRB (0.58) MEN1KMT2AKDM4EALDH1A1SMO
SCHEMBL6656183 0.76 MTNR1A (0.57) GAAMEN1KMT2APOLBKDM4E
SCHEMBL6661736 0.76 KDM4E (0.64) GAAMGAMSIMGAM2MEN1

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-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed