SCHEMBL6250314

SCHEMBL6250314

COc1ccc2nc(C)cc(SC)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 2/20 0.64
ALDH1A1 P00352 4/20 0.61
POLB P06746 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
JAK2 O60674 1/20 0.59
ATM Q13315 1/20 0.59
NQO2 P16083 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
PRNP P04156 1/20 0.56
RAD52 P43351 1/20 0.55
PKM P14618 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54

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
SCHEMBL6250311 0.86 KDM4E (0.63) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL9724209 0.81 LMNA (0.59) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL8103092 0.80 POLB (0.66) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL31284608 0.77 POLB (0.60) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL6848345 0.77 LMNA (0.53) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL1043638 0.77 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL437286 0.77 HSD17B10 (0.71) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL29923523 0.77 POLB (0.60) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL1161098 0.77 POLB (0.60) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL317463 0.77 LMNA (0.64) KDM4EHPGDHSD17B10ALDH1A1POLB

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed