SCHEMBL7763885

SCHEMBL7763885

C=CCn1c(SCCF)n[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
FPR1 P21462 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNF P01375 1/20 0.33

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
SCHEMBL7765236 0.78 ALDH1A1 (0.42) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL9413995 0.78 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL7763858 0.72 CYP3A4 (0.45) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL5391863 0.70 CYP3A4 (0.46) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL8632250 0.69 ALDH1A1 (0.49) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL5391867 0.68 CYP3A4 (0.45) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL3584589 0.66 ADORA2B (0.42) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL21853415 0.66 CYP3A4 (0.42) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL8505340 0.65 GAA (0.42) ALDH1A1MAPTTDP1MAPK1HTT
SCHEMBL6389138 0.63 MAPT (0.70) ALDH1A1MAPTTDP1MAPK1HTT

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-0869948-B1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AG (DE) 2001-06-13 EP disclosed
US-6153761-A AN INTERMEDIATES FOR PREPARING HERBICIDES AND/OR FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
US-5994273-A AGRICULTURE BAYER AKTIWNGESELLSCHAFT (DE) 1999-11-30 US disclosed