SCHEMBL14123294

SCHEMBL14123294

O=c1cc(Cc2cccnc2)[nH]c(=S)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYB5R3 P00387 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 2/20 0.44
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
TSHR P16473 1/20 0.44
LPO P22079 1/20 0.44
TAS2R38 P59533 1/20 0.44
MAPT P10636 1/20 0.43
PLA2G7 Q13093 2/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 3/20 0.40
MAPK10 P53779 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL14123282 0.85 HRH4 (0.51) SMN1; SMN2HRH4HRH3ALDH1A1PLA2G7
Benzylthiouracil SCHEMBL815137 0.81 SMN1; SMN2 (1.00) SMN1; SMN2CYB5R3CYP3A4ALDH1A1CYP2C19
SCHEMBL30172778 0.81 GPR84 (0.55) HRH4HRH3PLA2G7TBXAS1
SCHEMBL17209000 0.81 GPR84 (0.55) HRH4HRH3PLA2G7TBXAS1
SCHEMBL14123256 0.72 SMN1; SMN2 (0.60) SMN1; SMN2HRH4HRH3CYB5R3CYP3A4
SCHEMBL11427746 0.71 ALDH1A1 (0.50) HRH4HRH3ALDH1A1PLA2G7HPGD
SCHEMBL19050214 0.70 IDO1 (0.57) HRH4HRH3
SCHEMBL7007907 0.70 PNP (0.55) HRH4HRH3PLA2G7
SCHEMBL8007687 0.69 MMP2 (0.47) SMN1; SMN2HRH4HRH3ALDH1A1CYP2C19
SCHEMBL5907178 0.69 SMN1; SMN2 (0.61) SMN1; SMN2CYB5R3CYP3A4ALDH1A1CYP2C19

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
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed