SCHEMBL9324968

SCHEMBL9324968

COOP(=S)(OOC)Oc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 9/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 4/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL1684281 0.88 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL29790901 0.88 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL29776928 0.82 ALDH1A1 (0.52) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL3428898 0.81 TSHR (0.51) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL7775360 0.79 TSHR (0.56) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL425259 0.76 TSHR (0.62) TSHRCYP3A4ALDH1A1LMNAMAPT
Lithium Ion SCHEMBL8330357 0.76 TSHR (0.53) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL10907764 0.74 CYP3A4 (0.44) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL11046676 0.71 ALDH1A1 (0.43) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2
SCHEMBL16956608 0.71 TSHR (0.55) TSHRCYP3A4ALDH1A1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5303502-A Method and article for the preventive protection of materials against soil-dwelling pests DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-04-19 US disclosed
EP-0493400-B1 PROCESS FOR PREVENTIVE PROTECTION OF MATERIALS FROM PESTS PERMANENTLY OR TEMPORARILY LIVING IN THE GROUND, ESPECIALLY TERMITES DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-03-09 EP disclosed
US-5159778-A METHOD AND ARTICLE FOR THE PREVENTIVE PROTECTION OF MATERIALS AGAINST SOIL-DWELLING PESTS DESOWAG MATERIALSCHUTZ GMBH (DE) 1992-11-03 US disclosed
EP-0493400-A1 PROCESS FOR PREVENTIVE PROTECTION OF MATERIALS FROM PESTS PERMANENTLY OR TEMPORARILY LIVING IN THE GROUND, ESPECIALLY TERMITES. DESOWAG MATERIALSCHUTZ GMBH (DE) 1992-07-08 EP disclosed
WO-1991003939-A1 PROCESS FOR PREVENTIVE PROTECTION OF MATERIALS FROM PESTS PERMANENTLY OR TEMPORARILY LIVING IN THE GROUND, ESPECIALLY TERMITES DESOWAG MATERIALSCHUTZ GMBH (DE) 1991-04-04 WO disclosed