SCHEMBL8205015

SCHEMBL8205015

CCN1C(=O)C(=C/C=C/c2ccc(OC)cc2)SC1=S

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
AKR1B1 P15121 1/20 0.54
TDP1 Q9NUW8 3/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PDE4B Q07343 2/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
DNM1 Q05193 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8205013 1.00 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8205017 1.00 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8211222 0.85 MAPT (0.73) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL14407429 0.85 MAPT (0.70) MAPTALDH1A1MAPK1TDP1PDE4B
SCHEMBL1101968 0.85 MAPT (0.73) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8211219 0.85 MAPT (0.73) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8211228 0.85 MAPT (0.73) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6881113 0.84 MAPT (0.77) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL16543009 0.79 MAPT (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL14213565 0.76 MAPT (0.70) MAPTALDH1A1MAPK1MEN1KMT2A

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-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO claimed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO disclosed