SCHEMBL7794400

SCHEMBL7794400

[c]1cccc2nc3nc4ccccc4nc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.40
KDM4E B2RXH2 14/20 0.40
HPGD P15428 13/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 10/20 0.35
HSD17B10 Q99714 7/20 0.35
GLA P06280 6/20 0.35
USP2 O75604 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 5/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL4495624 0.72 KDM4E (0.63) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL7794403 0.66 KDM4E (0.49) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL13852975 0.65 MAPT (0.43) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL13156551 0.63 MAPT (0.71) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL30367449 0.63 MAPT (0.71) ALDH1A1KDM4EHPGDGAAHSD17B10
Phenazine SCHEMBL31518808 0.60 MAPT (0.92) ALDH1A1KDM4EHPGDLMNAGAA
Phenazine SCHEMBL31518809 0.60 MAPT (0.92) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL1104435 0.59 KDM4E (0.42) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL832456 0.57 KDM4E (0.49) ALDH1A1KDM4EHPGDGAAHSD17B10
Phenazine SCHEMBL9049 0.57 MAPT (1.00) ALDH1A1KDM4EHPGDLMNAGAA

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed