Sulfuric Acid

SCHEMBL4417122

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CN)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CN)CC4)ccc3OCC)nc12.O=S(=O)(O)O

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

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)

	gene	UniProt	supporting neighbours	confidence
▸	ADRA1A known ✓	P35348	1/20	0.82

▸	PDE5A	O76074	20/20	0.84

▸	PDE3B	Q13370	3/20	0.84

▸	PDE3A	Q14432	3/20	0.84

▸	PDE2A	O00408	1/20	0.82

▸	ABCC4	O15439	1/20	0.82

▸	ABCC5	O15440	1/20	0.82

▸	PDE6D	O43924	1/20	0.82

▸	PDE8A	O60658	1/20	0.82

▸	PDE9A	O76083	1/20	0.82

▸	ABCB11	O95342	1/20	0.82

▸	CYP3A4	P08684	1/20	0.82

▸	HTR1A	P08908	1/20	0.82

▸	PDE6A	P16499	1/20	0.82

▸	PDE6G	P18545	1/20	0.82

▸	PDE4A	P27815	1/20	0.82

▸	ADORA2A	P29274	1/20	0.82

▸	ADORA1	P30542	1/20	0.82

▸	PDE6B	P35913	1/20	0.82

▸	PDE6C	P51160	1/20	0.82

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7915874	0.98	PDE5A (0.88)	PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30848678	0.92	PDE5A (0.95)	PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5010426	0.92	PDE5A (0.90)	PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL29358004	0.92	PDE5A (1.00)	PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL17342850	0.92	PDE5A (1.00)	PDE5APDE3BPDE3APDE2AABCC4
Lodenafil SCHEMBL1058	0.91	PDE5A (1.00)	PDE5APDE3BPDE3APDE2AABCC4
Lodenafil SCHEMBL31202790	0.91	PDE5A (1.00)	PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL21682504	0.90	PDE5A (0.88)	PDE5APDE3BPDE3APDE2AABCC4
Sildenafil SCHEMBL34463415	0.90	PDE5A (0.94)	PDE5APDE3BPDE3APDE2AABCC4
Sildenafil SCHEMBL2112660	0.90	PDE5A (0.94)	PDE5APDE3BPDE3APDE2AABCC4

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8524274-B2	Liposomal composition comprising an active ingredient for relaxing smooth muscle, the production of this composition and the therapeutic use thereof	POLYMUN SCIENTIFIC IMMUNBIOLOGISCHE FORSCHUNG GMBH (AT)	2013-09-03	—	—	US	disclosed
US-20090324698-A1	LIPOSOMAL COMPOSITION COMPRISING AN ACTIVE INGREDIENT FOR RELAXING SMOOTH MUSCLE, THE PRODUCTION OF THIS COMPOSITION AND THE THERAPEUTIC USE THEREOF	POLYMUN SCIENTIFIC IMMUNBIOLOGISCHE FORSCHUNG GMBH (AT)	2009-12-31	—	—	US	disclosed