SCHEMBL8728739

SCHEMBL8728739

O=C(O)C1(c2cc3ccccc3[nH]2)C=c2ccccc2=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FLT3 P36888 2/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDO Q99489 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2C P28335 1/20 0.34
BCAT1 P54687 1/20 0.34
EGFR P00533 1/20 0.33
PIK3CA P42336 1/20 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
SCHEMBL5901792 0.67 LOXL2 (0.43) IDO1HRH4
SCHEMBL6688749 0.65 THRB (0.31) DAOSMN1; SMN2ALDH1A1
SCHEMBL5757196 0.63 KDM4E (0.44) DAOKDM4EMAPTHPGDSRD5A2
SCHEMBL10783455 0.62 L3MBTL1 (0.32)
SCHEMBL9752038 0.62
SCHEMBL7890207 0.60 KDM4E (0.72) DAOKDM4EMAPTHPGDSRD5A2
SCHEMBL7890214 0.60 KDM4E (0.72) DAOKDM4EMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL1935 0.60 KDM4E (1.00) DAOKDM4EMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL29395165 0.60 KDM4E (1.00) DAOKDM4EMAPTHPGDSRD5A2
SCHEMBL21048591 0.59 DAO (0.46) DAOKDM4EMAPTHPGDSRD5A2

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
US-5736518-A Peptide compounds of (L) amino acids and ring molecules, and therapeutical applications thereof POLIFARMA S.P.A. (IT) 1998-04-07 US disclosed
US-5504071-A HYPOTENSIVE AGENTS POLIFARMA S.P.A. (IT) 1996-04-02 US disclosed