SCHEMBL6632608

SCHEMBL6632608

CCCCc1c(C)[nH]c(=S)[nH]c1=O.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 6/20 0.62
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.49
TYMP P19971 4/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
FFAR3 O14843 1/20 0.43
FFAR2 O15552 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL649170 0.98 KDM4E (0.71) KDM4EALDH1A1LMNANPC1TYMP
SCHEMBL4978570 0.89 KDM4E (0.68) KDM4EALDH1A1LMNANPC1TYMP
SCHEMBL9872008 0.80 KDM4E (0.61) KDM4EALDH1A1LMNANPC1MAPT
SCHEMBL11736480 0.80 KDM4E (0.49) KDM4EALDH1A1TYMPMAPTNPSR1
SCHEMBL17271402 0.80 KDM4E (0.49) KDM4EALDH1A1TYMPMAPTPKM
SCHEMBL648709 0.79 TYMP (0.67) KDM4EALDH1A1TYMPMAPTPKM
SCHEMBL14502537 0.77 ALDH1A1 (0.49) KDM4EALDH1A1TYMPPKMFFAR3
SCHEMBL17271400 0.74 L3MBTL1 (0.56) KDM4EALDH1A1TYMPMAPTNPSR1
SCHEMBL11449106 0.73 ALDH1A1 (0.65) KDM4EALDH1A1LMNANPC1NPSR1
SCHEMBL7134419 0.70 KDM4E (0.54) KDM4EALDH1A1LMNANPC1MAPT

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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed