SCHEMBL9330378

SCHEMBL9330378

CN(C)C(=Cc1ccccc1)[n+]1ccccc1.O=S(=O)([O-])C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 1/20 0.32
HSP90AA1 P07900 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1C3 P42330 1/20 0.32
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRM1 P35372 1/20 0.31
PTGS2 P35354 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
SCHEMBL8607275 0.81 CHAT (0.39) MEN1KMT2AALDH1A1KDM1AMAPK1
Hydrochloric Acid SCHEMBL9052839 0.79 CHAT (0.38) MEN1KMT2AALDH1A1KDM1AMAPK1
SCHEMBL2777625 0.79 PTGS2 (0.44) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8462702 0.76 PTGS2 (0.44) ALDH1A1HPGDAKR1C3ACHELMNA
SCHEMBL9330367 0.64 MEN1 (0.53) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7905668 0.62 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7904552 0.61 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4345921 0.61 LMNA (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7758314 0.60 CYP1A2 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8625481 0.59 TSHR (0.40) ALDH1A1KDM1ASMN1; SMN2USP2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292888-A High melting point stilbazolium salts GENERAL ELECTRIC COMPANY (US) 1994-03-08 US disclosed