SCHEMBL9541204

SCHEMBL9541204

O=C(Oc1ccccc1)c1sc2nc3ccccc3cc2c1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
MAPT P10636 8/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL13954996 0.81 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9541407 0.81 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9542517 0.79 MAPT (0.51) NSD2MAPTALDH1A1MEN1KMT2A
SCHEMBL9540895 0.77 MAPT (0.40) NSD2MAPTALDH1A1MEN1KMT2A
SCHEMBL9541191 0.77 KMT2A (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9542671 0.76 NSD2 (0.37) NSD2MAPTALDH1A1MEN1KMT2A
SCHEMBL9541069 0.76 KDM4E (0.49) NSD2MAPTALDH1A1KMT2AKDM4E
SCHEMBL9542502 0.75 ALDH1A1 (0.38) NSD2MAPTALDH1A1MEN1KMT2A
SCHEMBL9541088 0.75 KMT2A (0.37) NSD2MAPTALDH1A1MEN1KMT2A
SCHEMBL7047670 0.73 MAPT (0.59) MAPTALDH1A1KMT2AKDM4ETDP1

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed