Sulfuric Acid

Sulfuric Acid

SCHEMBL19378024

CC(=O)N(C)c1ccc(O)cc1.O=S(=O)(O)O

nearest known ligand 0.47

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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 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 3/20 0.46
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
ACLY P53396 1/20 0.43
HSD11B1 P28845 1/20 0.41
ESR1 P03372 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1981807 0.92 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL14341655 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL483015 0.80 HSD11B1 (0.48) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
Hydrochloric Acid SCHEMBL27809979 0.78 HSD11B1 (0.47) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
Sulfuric Acid SCHEMBL11452406 0.77 HTR3E (0.46) ALDH1A1RAB9AALOX15HSD17B10L3MBTL1
SCHEMBL12550506 0.76 HSP90AA1 (0.47) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL12527997 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL13589485 0.76 ENPP2 (0.48) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL4869390 0.76 KMT2A (0.50) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10
SCHEMBL3067655 0.74 HSD11B1 (0.50) SMN1; SMN2ALDH1A1RAB9AALOX15HSD17B10

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-20170276669-A1 PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-09-28 US disclosed