Sulfuric Acid

Sulfuric Acid

SCHEMBL4529922

O=S(=O)(O)O.c1ccc(CN2CCCOc3nccc(-c4ccccc4)c3C2)cc1

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

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 9)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 6/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.36
DHPS P49366 1/20 0.35

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
Sulfuric Acid SCHEMBL4506000 0.89 GPBAR1 (0.48) CLPPMEN1KMT2ACYP2D6
Sulfuric Acid SCHEMBL4520732 0.88 KMT2A (0.42) CLPPMAPK1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1833598 0.86 ALDH1A1 (0.40) CLPPMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1835350 0.84 SIGMAR1 (0.45) CLPPMEN1KMT2AMAPT
SCHEMBL1839636 0.79 GPBAR1 (0.49) CLPPCYP2D6
Hydrochloric Acid SCHEMBL1837102 0.79 MEN1 (0.45) CLPPMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1834142 0.77 SIGMAR1 (0.47) CLPPMEN1KMT2A
SCHEMBL1953143 0.76 MAPT (0.37) MEN1KMT2AMAPT
SCHEMBL1951653 0.75 GPBAR1 (0.52) CLPPCYP2D6
Hydrochloric Acid SCHEMBL1837649 0.75 SLC6A3 (0.38) FAAH

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
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed