SCHEMBL9504713

SCHEMBL9504713

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.O=S(=O)([O-])c1c(O)c(O)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
DNM1 Q05193 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MPL P40238 1/20 0.32
HTT P42858 2/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9506067 0.87 G6PD (0.36) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6749160 0.83 DNM1 (0.35) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL180944 0.80 HKDC1 (0.41) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL14927 0.77 LDHA (0.41) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL2245787 0.77 DNM1 (0.46) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL2908891 0.77 DNM1 (0.49) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6692792 0.77 CYP2D6 (0.46) CYP2D6CYP1A2MEN1KMT2ATP53
SCHEMBL10383923 0.77 ESR1 (0.37) CYP2D6DNM1KMT2ATRPV1HTT
Hydrochloric Acid SCHEMBL28523486 0.76 LDHA (0.40) DNM1CYP1A2MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL17272951 0.76 DNM1 (0.45) DNM1CYP1A2MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315084-B1 METHOD FOR INCREASING THE ELECTROSTATIC CHARGEABILITY OF POWDER VARNISHES OR POWDERS, AND THEIR USE IN THE SURFACE COATING OF SOLID OBJECTS HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-09 EP disclosed
US-5015676-A Cationic ammonium compounds or imine cations HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed