SCHEMBL11084690

SCHEMBL11084690

N#CCn1c(=S)sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL11088904 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL27855470 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL10669723 0.79 L3MBTL1 (0.58) ALDH1A1CYP1A2L3MBTL1KDM4EPKM
SCHEMBL8079249 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL3393854 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL513869 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL6547890 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL11780045 0.74 L3MBTL1 (0.65) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL11782096 0.74 DRD2 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL10863546 0.72 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDHSD17B10DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447618-A PLANT GROWTH REGULATOR FOR LEGUMES MONSANTO COMPANY (US) 1984-05-08 US disclosed
US-4323686-A LEGUMINOUS PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1982-04-06 US disclosed
US-4283220-A Imidamides derived from 2-oxo-3-benzothiazoline acetic acid plant growth regulants MONSANTO COMPANY (US) 1981-08-11 US disclosed
EP-0024889-A1 Imidamides derived from 2-oxo-3-benzothiazoline acetic acid, process for their preparation and their use as plant growth regulants MONSANTO COMPANY (US) 1981-03-11 EP disclosed
EP-0022353-A1 Derivatives of 2-thioxo-3-benzothiazoline acetonitrile, process for their preparation and their use as leguminous plant growth regulants MONSANTO COMPANY (US) 1981-01-14 EP disclosed
EP-0022353-A1 Derivatives of 2-thioxo-3-benzothiazoline acetonitrile, process for their preparation and their use as leguminous plant growth regulants MONSANTO COMPANY (US) 1981-01-14 EP disclosed