SCHEMBL11062075

SCHEMBL11062075

C=CCSC(=N)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TGM2 P21980 1/20 0.43
PHGDH O43175 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
CDK9 P50750 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAS2R38 P59533 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10033645 0.76 ALDH1A1 (0.50) PHGDHALDH1A1MEN1KMT2ATP53
SCHEMBL7785354 0.76 IDO1 (0.53) PHGDHALDH1A1KMT2ATP53EPHX1
SCHEMBL1387773 0.76 ALDH1A1 (0.46) PHGDHALDH1A1KMT2ASMN1; SMN2TAS2R38
Bromide SCHEMBL11804669 0.74 ALDH1A1 (0.45) PHGDHALDH1A1KMT2ASMN1; SMN2TAS2R38
Iodide SCHEMBL6699561 0.74 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2TAS2R38HSD17B10
SCHEMBL11215639 0.73 CYP1A2 (0.48) CYP1A2TGM2PHGDHALDH1A1MEN1
SCHEMBL11215637 0.73 CYP1A2 (0.48) CYP1A2TGM2PHGDHALDH1A1MEN1
Hydrochloric Acid SCHEMBL11846030 0.73 ALDH1A1 (0.40) PHGDHALDH1A1MEN1KMT2ATP53
SCHEMBL5242614 0.72 AKT1 (0.38) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL7403710 0.70 HSD17B10 (0.48) PHGDHALDH1A1MEN1KMT2ATP53

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-4475942-A N-Phosphonomethylglycine derivatives and herbicidal compositions containing them GESHURI LABORATORIES LTD. (IL) 1984-10-09 US disclosed
EP-0103055-A1 N-phosphonomethylglycine derivatives and herbicidal compositions containing them Geshuri Laboratories Ltd. (IL) 1984-03-21 EP disclosed