SCHEMBL8504232

SCHEMBL8504232

Cc1cccc2[nH]c3sc(C(=O)O)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
DAO P14920 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
DDO Q99489 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
UCHL1 P09936 1/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL31628536 1.00 KDM4E (0.40) KDM4EDAOALDH1A1MAPTMEN1
SCHEMBL5439441 0.77 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL29513087 0.70 SLC9A1 (0.63) KDM4EDAOALDH1A1MAPTMEN1
SCHEMBL15697558 0.70 SLC9A1 (0.63) KDM4EDAOALDH1A1MAPTMEN1
SCHEMBL8507142 0.68 RXFP1 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15516976 0.67 MCL1 (0.44) KDM4EDAOALDH1A1MAPTMEN1
SCHEMBL9452283 0.67 HPGD (0.57) KDM4EDAOALDH1A1MAPTMEN1
SCHEMBL31628357 0.67 KIF11 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8506970 0.67 KIF11 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2993953 0.65 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A

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-0750621-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1999-07-21 EP claimed