SCHEMBL11399574

SCHEMBL11399574

SCc1nc2ccccc2nc1CS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.43
NQO2 P16083 2/20 0.42
KMT2A Q03164 3/20 0.41
PDE10A Q9Y233 1/20 0.39
IDO1 P14902 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL20932431 0.76 IDO1 (0.49) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30384601 0.72 MAPT (0.53) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL3501667 0.72 MAPT (0.53) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL2491027 0.72 KDM4E (0.53) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL1258591 0.72 MAPT (0.53) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL24584368 0.72 NQO2 (0.57) MAPTALDH1A1KDM4ETDP1NQO2
Phenazine SCHEMBL29356959 0.71 MAPT (1.00) MAPTALDH1A1HPGDKDM4EGAA
Phenazine SCHEMBL9049 0.71 MAPT (1.00) MAPTALDH1A1HPGDKDM4EGAA
Phenazine SCHEMBL27643128 0.71 MAPT (1.00) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL14493277 0.69 MAPT (0.58) MAPTALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed