Sulfuric Acid

SCHEMBL8206629

CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)NCc1ccccc1)C(=O)N1CCN(CC=Cc2ccccc2)CC1.CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)NCc1ccccc1)C(=O)N1CCN(CC=Cc2ccccc2)CC1.O=S(=O)(O)O

nearest known ligand 0.44

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 16)

	gene	UniProt	supporting neighbours	confidence
▸	CHRM3 known ✓	P20309	1/20	0.43

▸	MAPK1	P28482	2/20	0.44

▸	LMNA	P02545	4/20	0.43

▸	MEN1	O00255	1/20	0.43

▸	USP2	O75604	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	TSHR	P16473	1/20	0.43

▸	ALDH1A1	P00352	5/20	0.42

▸	KDM4E	B2RXH2	3/20	0.42

▸	MAPT	P10636	2/20	0.42

▸	GAA	P10253	2/20	0.42

▸	L3MBTL1	Q9Y468	1/20	0.42

▸	HTT	P42858	1/20	0.42

▸	CAPN1	P07384	1/20	0.41

▸	PKM	P14618	1/20	0.40

▸	SMN1; SMN2	Q16637	1/20	0.40

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
Sulfuric Acid SCHEMBL8206627	1.00	MAPK1 (0.44)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL8207257	0.88	CAPN1 (0.53)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL10862139	0.88	CAPN1 (0.53)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL8207274	0.88	CAPN1 (0.53)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL10862167	0.88	CAPN1 (0.53)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL8207267	0.88	CAPN1 (0.53)	MAPK1LMNAMEN1USP2KMT2A
Sulfuric Acid SCHEMBL29634308	0.87	CAPN1 (0.53)	MAPK1LMNAMEN1KMT2ACHRM3
SCHEMBL10996264	0.85	MAPK1 (0.48)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL10996271	0.85	MAPK1 (0.48)	MAPK1LMNAMEN1USP2KMT2A
SCHEMBL10996256	0.85	MAPK1 (0.48)	MAPK1LMNAMEN1USP2KMT2A

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6054437-A	Method for inducing death of neoplastic cells using piperazine derivatives	HITACHI CHEMICAL RESEARCH CENTER, INC. (US)	2000-04-25	—	—	US	disclosed