SCHEMBL9054439

SCHEMBL9054439

O=C(Cc1ccccc1)c1cscn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 2/20 0.41
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GPR142 Q7Z601 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1515752 0.77 LMNA (0.59) KDM4ECES2CES1AKR1B1SMN1; SMN2
SCHEMBL24825774 0.76 TDP1 (0.53) KDM4ERAB9AMAPTL3MBTL1POLB
SCHEMBL19476144 0.76 MMP13 (0.60) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL24356066 0.73 KMT2A (0.58) KDM4ESMN1; SMN2NPC1HPGDRAB9A
SCHEMBL18040177 0.72 NAPRT (0.53) KDM4ESMN1; SMN2HPGDPOLBALDH1A1
SCHEMBL2668039 0.72
SCHEMBL10977792 0.72
SCHEMBL8617913 0.72
SCHEMBL165337 0.71
SCHEMBL6287457 0.70 KDM4E (0.69) KDM4ESMN1; SMN2HPGDL3MBTL1ALDH1A1

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-1996002538-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE DERIVATIVES RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO disclosed