SCHEMBL5874490

SCHEMBL5874490

O=S(=O)(O)[n+]1cccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 12/20 0.39
BCHE P06276 11/20 0.39
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL5874485 0.81 ACHE (0.41) ALDH1A1KDM4EHPGDACHEBCHE
Sulfuric Acid SCHEMBL28489489 0.73 MEN1 (0.40) MEN1ALDH1A1KMT2AKDM4EAPOBEC3A
Sulfuric Acid SCHEMBL9352888 0.71 ACHE (0.42) MEN1ALDH1A1KMT2AKDM4EAPOBEC3A
SCHEMBL16087656 0.68 SMN1; SMN2 (0.35) KMT2AKDM4E
SCHEMBL8976440 0.68 HDAC8 (0.47) ALDH1A1KDM4EACHE
Water SCHEMBL8975881 0.67 HDAC8 (0.46) ALDH1A1KDM4EACHE
SCHEMBL31305314 0.66 BCHE (0.66) ACHEBCHE
SCHEMBL1665979 0.66 ACHE (0.46) ACHEBCHE
SCHEMBL3861730 0.66 ACHE (0.46) ACHEBCHE
Naphthalene SCHEMBL29361795 0.66 ALOX12 (0.57) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431774-A QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1984-02-14 US claimed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4431774-A QUINOLINIUM SULFONATES AS LATENT ACID CATALYSTS; RADIATION; DECOMPOSITION; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1984-02-14 US disclosed