SCHEMBL5800358

SCHEMBL5800358

O=C1C=CC(=O)c2nc(Nc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALPG P10696 1/20 0.53
S100A4 P26447 2/20 0.47
NPC1 O15118 3/20 0.41
ATM Q13315 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
PIM1 P11309 2/20 0.41
AURKA O14965 2/20 0.41
CHEK1 O14757 1/20 0.41
IKBKB O14920 1/20 0.41
PDPK1 O15530 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL21801897 0.71 S100A4 (0.56) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL3759875 0.71 MAPT (1.00) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL4433324 0.67 GRM5 (0.54) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL2599222 0.65 S100A4 (1.00) RAB9AMEN1KMT2AS100A4MAPK1
SCHEMBL11358184 0.65 S100A4 (0.59) MAPTMEN1KMT2AKDM4ES100A4
SCHEMBL28289103 0.65 S100A4 (0.59) MAPTMEN1KMT2AKDM4ES100A4
SCHEMBL21312575 0.65 MEN1 (0.49) MAPTRAB9AMEN1KMT2ATDP1
Diphenylamine SCHEMBL9632812 0.65 HSD17B10 (0.67) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL2113287 0.65 MAPT (0.55) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL14308717 0.64 CDK2 (0.74) MAPTRAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO disclosed
EP-0107367-B1 6-SUBSTITUTED-QUINOLINE-5,8-QUINONES ELI LILLY AND COMPANY (US) 1989-08-02 EP disclosed
US-4492704-A ANTHISTAMINES ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed
EP-0107367-A2 6-Substituted-quinoline-5,8-quinones ELI LILLY AND COMPANY (US) 1984-05-02 EP disclosed