Sulfuric Acid

Sulfuric Acid

SCHEMBL28756502

CC(=O)Nc1cccc([N+](=O)[O-])c1C.CC(=O)O.O=S(=O)(O)O

nearest known ligand 0.63

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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
POLB P06746 3/20 0.63
LMNA P02545 2/20 0.61
ALDH1A1 P00352 4/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
PKM P14618 1/20 0.55
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
Acetic Acid SCHEMBL28756645 0.94 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
Acetic Acid SCHEMBL29589279 0.94 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL6789579 0.91 POLB (0.68) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11551428 0.84 POLB (0.75) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11325469 0.81 LMNA (0.83) POLBLMNAALDH1A1CYP2C9CYP2C19
Sulfuric Acid SCHEMBL28756501 0.80 L3MBTL1 (0.61) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL8957274 0.78 PKM (0.63) LMNAALDH1A1PKMGAAKMT2A
SCHEMBL4028956 0.78 POLB (0.71) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL7123707 0.77 NPSR1 (0.55) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL30539486 0.77 NPSR1 (0.55) POLBLMNAALDH1A1CYP2C9CYP2C19

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
CN-114478262-A Continuous flow efficient production method of 2-amino-4-nitrotoluene 常州大学 2022-05-13 CN disclosed