SCHEMBL9517850

SCHEMBL9517850

O=C(O)c1c(SCc2ccccc2)nc2sccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PTPRC P08575 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 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
SCHEMBL14049923 0.85 KDM4E (0.47) ALDH1A1CYP2C9HPGDLMNAL3MBTL1
SCHEMBL9520667 0.81 SMN1; SMN2 (0.49) PPARGALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL9516840 0.76 MAPK1 (0.46) ALDH1A1HPGDSMN1; SMN2TDP1TSHR
SCHEMBL9520546 0.73 MAPK1 (0.56) ALDH1A1CYP2C9HPGDSMN1; SMN2TDP1
SCHEMBL22761661 0.72 HSD17B10 (0.59) HSD17B10MAPT
Formic Acid SCHEMBL4814029 0.71 POLB (0.36) PTPRCALDH1A1CYP2C9HPGDSMN1; SMN2
SCHEMBL9517861 0.70 SMN1; SMN2 (0.40) ALDH1A1HPGDSMN1; SMN2TDP1NPC1
SCHEMBL6745024 0.70 TSHR (0.39) ALDH1A1HPGDSMN1; SMN2TDP1NPC1
SCHEMBL9517941 0.67 TSHR (0.64) PTPRCALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL10560215 0.67 RAB9A (0.55) PTPRCALDH1A1HPGDSMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed