SCHEMBL7670418

SCHEMBL7670418

[S]C(=S)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TAS2R38 P59533 3/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP3A4 P08684 1/20 0.67
GAA P10253 7/20 0.61
KMT2A Q03164 4/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 2/20 0.61
RAB9A P51151 2/20 0.61
NOX1 Q9Y5S8 2/20 0.61
NPC1 O15118 1/20 0.61
TYR P14679 1/20 0.61
PHGDH O43175 1/20 0.58
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
EPHX1 P07099 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL1936559 0.80 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3070807 0.80 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL132620 0.80 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL8956322 0.78 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Hydrochloric Acid SCHEMBL11243942 0.78 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Fluoride SCHEMBL28728322 0.78 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL9470190 0.78 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3426515 0.76 TP53 (0.64) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL1486771 0.76 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL730314 0.76 ALDH1A1 (0.80) ALDH1A1TAS2R38HSD17B10CYP3A4GAA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US claimed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US claimed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US claimed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP claimed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP claimed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP claimed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0496106-B1 Stable agrochemical compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-12-20 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0496106-A1 Stable agrochemical compositions Takeda Chemical Industries, Ltd. (JP) 1992-07-29 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
US-4906553-A Processing process for silver halide black and white photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1990-03-06 US disclosed
EP-0341637-A2 Processing process for silver halide black and white photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1989-11-15 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed