SCHEMBL2010909

SCHEMBL2010909

COc1ccc(CSc2cccnc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 3/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11875017 0.88 TP53 (0.47) FFAR1MAPTKDM4ETP53RXFP1
SCHEMBL2014297 0.88 L3MBTL1 (0.58) FFAR1MAPTKDM4ETP53RXFP1
SCHEMBL11876582 0.85 BRD4 (0.46) FFAR1MAPTKDM4ETP53RXFP1
SCHEMBL3804451 0.84 ALDH1A1 (0.59) MAPTGAAKDM4ETP53SMN1; SMN2
SCHEMBL4020440 0.82 ALDH1A1 (0.49) MAPTGAAKDM4ETP53SMN1; SMN2
SCHEMBL13058362 0.78 L3MBTL1 (0.64) FFAR1MAPTKDM4ESMN1; SMN2PKM
SCHEMBL15413923 0.78 TP53 (0.52) MAPTKDM4ETP53RXFP1SMN1; SMN2
SCHEMBL6290570 0.78 RAB9A (0.67) FFAR1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL29661834 0.77 TP53 (0.49) KDM4ETP53SMN1; SMN2PKML3MBTL1
SCHEMBL784516 0.76 RAB9A (0.62) FFAR1KDM4ETP53ASPHKDM8

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
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
US-3963733-A 3-(P-methoxybenzylthio)2-non-oxocarbonylic pyridines SMITHKLINE CORPORATION (US) 1976-06-15 US disclosed