SCHEMBL14123256

SCHEMBL14123256

O=c1cc(Cc2ccccn2)[nH]c(=S)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 5/20 0.49
CYB5R3 P00387 3/20 0.49
CYP3A4 P08684 1/20 0.49
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TAS2R38 P59533 2/20 0.45
TSHR P16473 2/20 0.45
MPO P05164 1/20 0.45
TPO P07202 1/20 0.45
LPO P22079 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.42
AGTR1 P30556 2/20 0.38
PNP P00491 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14123147 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HRH4HRH3TSHR
SCHEMBL14066621 0.76 HRH3 (0.53) SMN1; SMN2ALDH1A1HRH4HRH3TSHR
Benzylthiouracil SCHEMBL815137 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYB5R3CYP3A4TAS2R38
SCHEMBL6612453 0.75 HRH4 (0.42) SMN1; SMN2ALDH1A1HRH4HRH3TSHR
SCHEMBL14123294 0.72 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1CYB5R3CYP3A4HRH4
SCHEMBL28600777 0.70 TAS2R38 (0.57) SMN1; SMN2ALDH1A1CYB5R3CYP3A4TAS2R38
SCHEMBL11225248 0.70 IDO1 (0.55) HRH4HRH3CYP2C19
SCHEMBL5907178 0.70 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1CYB5R3CYP3A4TAS2R38
SCHEMBL30069796 0.69 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CYB5R3CYP3A4TAS2R38
SCHEMBL7011364 0.69 PNP (0.54) SMN1; SMN2ALDH1A1HRH4HRH3TSHR

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