SCHEMBL11099191

SCHEMBL11099191

CCn1c2ccccc2c2cc(Nc3ccc(N)cc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
KDM4E B2RXH2 5/20 0.70
HTT P42858 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MAPK1 P28482 2/20 0.70
HPGD P15428 2/20 0.70
HBB P68871 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPY5R Q15761 3/20 0.54
DRD3 P35462 1/20 0.54
KDM1A O60341 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL25179738 0.91 NPSR1 (0.68) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL2287907 0.90 NPSR1 (0.63) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL11217129 0.86 NPSR1 (0.63) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL25186625 0.83 MAPT (0.66) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL30416772 0.83 MAPT (0.66) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL29357684 0.83 MAPT (1.00) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL37700 0.83 MAPT (1.00) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL19757194 0.82 NPSR1 (0.65) MAPTMEN1KMT2AKDM4EHTT
Water SCHEMBL28844053 0.82 MAPT (0.97) MAPTMEN1KMT2AKDM4EHTT
Iodide SCHEMBL33722025 0.82 MAPT (0.97) MAPTMEN1KMT2AKDM4EHTT

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-0037975-B1 SULFUR DYES OF THE CARBAZOLE SERIES, THEIR PREPARATION AND APPLICATION, AS WELL AS INTERMEDIATE COMPOUNDS CASSELLA Aktiengesellschaft (DE) 1984-07-04 EP disclosed
EP-0037975-A1 Sulfur dyes of the carbazole series, their preparation and application, as well as intermediate compounds CASSELLA Aktiengesellschaft (DE) 1981-10-21 EP disclosed