Sulfuric Acid

Sulfuric Acid

SCHEMBL4309558

C=CC[n+]1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)cc1.O=S(=O)([O-])O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
MAPT P10636 13/20 0.47
MEN1 O00255 11/20 0.47
KMT2A Q03164 11/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 5/20 0.47
NPC1 O15118 4/20 0.47
USP2 O75604 4/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
MAPK1 P28482 3/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 6/20 0.46
MAOB P27338 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL4301861 0.93 CYP19A1 (0.64) CYP19A1MAPTMEN1KMT2AKDM4E
Bromide SCHEMBL4300773 0.92 CYP19A1 (0.62) CYP19A1MAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4302942 0.90 SLC16A3 (0.42) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4302367 0.90 MEN1 (0.54) CYP19A1MAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4302159 0.88 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4302369 0.88 CYP19A1 (0.46) CYP19A1MAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4298727 0.86 CYP19A1 (0.62) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4309419 0.84 CYP19A1 (0.47) CYP19A1MAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4302287 0.84 CYP19A1 (0.55) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4306467 0.83 CYP19A1 (0.47) CYP19A1MAPTMEN1KMT2AKDM4E

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
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed