Sulfuric Acid

Sulfuric Acid

SCHEMBL10756409

CN(CCc1ccccn1)C(=N)N.O=S(=O)(O)O

nearest known ligand 0.53

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Known targets — ChEMBL curated mechanism

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

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 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9382808 0.93 MEN1 (0.53) HSD11B1TDP1LMNAKDM4ESMN1; SMN2
SCHEMBL7974997 0.82 HIF1A (0.58) HSD11B1TDP1KDM4ESMN1; SMN2HIF1A
SCHEMBL6702298 0.79 HIF1A (0.55) HSD11B1TDP1KDM4ESMN1; SMN2HIF1A
SCHEMBL7974996 0.79 HIF1A (0.58) HSD11B1TDP1KDM4ESMN1; SMN2HIF1A
SCHEMBL424285 0.77 HIF1A (0.59) HSD11B1TDP1KDM4ESMN1; SMN2MAPT
SCHEMBL2755865 0.77 KDM4E (0.62) HSD11B1TDP1KDM4EHIF1AMEN1
SCHEMBL6702300 0.77 HIF1A (0.62) HSD11B1TDP1LMNAKDM4ESMN1; SMN2
SCHEMBL424284 0.76 HIF1A (0.58) HSD11B1TDP1KDM4ESMN1; SMN2MAPT
Sulfuric Acid SCHEMBL10760208 0.75 LMNA (0.60) HSD11B1TDP1LMNASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL28176148 0.75 LMNA (0.63) TDP1LMNAKDM4ESMN1; SMN2MAPT

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-4707478-A ANTIPROTOZOA AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-11-17 US disclosed
EP-0086775-A4 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1984-09-05 EP disclosed
EP-0086775-A1 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-31 EP disclosed
WO-1983000627-A1 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES STUDT, WILLIAM, LYON 1983-03-03 WO disclosed