SCHEMBL5339543

SCHEMBL5339543

COc1ccc(CNc2cncc3sccc23)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
HTT P42858 1/20 0.45
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL5329633 0.79 KMT2A (0.52) KMT2ARAB9APDE10AMEN1
SCHEMBL5339343 0.72 ICAM1 (0.42) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL5332098 0.72 MEN1 (0.49) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL27583319 0.72 PDE5A (0.47) TNFNOD1KDM4EALDH1A1MAPT
SCHEMBL5330795 0.72 IRAK4 (0.47) KDM4EMAPTLMNAHPGDKMT2A
SCHEMBL7404118 0.71 TNF (1.00) TNFNOD1KDM4EALDH1A1LMNA
SCHEMBL5313426 0.70 PTGS1 (0.46) KDM4EALDH1A1MAPTTDP1HPGD
SCHEMBL5333560 0.70 MEN1 (0.55) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL17127366 0.70 ALDH1A1 (0.52) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL27403244 0.69 TNF (0.68) TNFNOD1LMNASMN1; SMN2KMT2A

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-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed