SCHEMBL9208532

SCHEMBL9208532

S=C(Nc1ccc(Cl)c(C2OCCO2)c1)N1CCCC=N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL9770869 0.70 HDAC3 (0.38) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7583374 0.60 TP53 (0.41) ALDH1A1RAB9AKDM4ENPC1
SCHEMBL14119898 0.59 LMNA (1.00) LMNASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL14119869 0.58 LMNA (0.73) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL28518947 0.58 RORC (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1539261 0.58 NPC1 (0.36) LMNASMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL7921629 0.58 CYP3A4 (0.45) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL11288577 0.56 L3MBTL1 (0.49) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL25395345 0.55
SCHEMBL3202257 0.55 KIF11 (0.38) LMNASMN1; SMN2ALDH1A1RAB9ANPC1

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-0414112-B1 Herbicides thiadiazabicyclononan derivatives BASF AG (DE) 1995-12-20 EP disclosed
US-5106408-A Pre- and postemergence BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0414112-A2 Herbicides thiadiazabicyclononan derivatives BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed