Sulfuric Acid

Sulfuric Acid

SCHEMBL8107597

Nc1ccc(NCCNc2ccc(N)cc2N)c(N)c1.O=S(=O)(O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

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

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
PRSS1 P07477 10/20 0.50
ALDH1A1 P00352 4/20 0.47
RECQL P46063 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.44
PTGER4 P35408 1/20 0.42
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
CASP6 P55212 1/20 0.41

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 SCHEMBL8097992 0.93 PRSS1 (0.53) PRSS1ALDH1A1RECQLHSD17B10THRB
Sulfuric Acid SCHEMBL7809563 0.91 PRSS1 (0.44) PRSS1ALDH1A1RECQLHSD17B10THRB
Sulfuric Acid SCHEMBL8113341 0.85 ALDH1A1 (0.52) PRSS1ALDH1A1RECQLHSD17B10THRB
SCHEMBL7809571 0.84 PTGER4 (0.46) PRSS1ALDH1A1RECQLHSD17B10THRB
SCHEMBL2927441 0.81 PRSS1 (0.49) PRSS1ALDH1A1RECQLHSD17B10THRB
SCHEMBL9662495 0.79 PRSS1 (0.47) PRSS1HSD17B10HPGDALOX15RAPGEF4
SCHEMBL6023401 0.79 PRSS1 (0.47) PRSS1ALDH1A1HSD17B10THRBHPGD
SCHEMBL10608893 0.79 PRSS1 (0.50) PRSS1ALDH1A1RECQLHSD17B10TSHR
SCHEMBL5090853 0.77 RAPGEF4 (0.46) ALDH1A1RECQLHSD17B10THRBHPGD
SCHEMBL28088310 0.76 PRSS1 (0.49) PRSS1ALDH1A1RECQLALOX15GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6024768-A HUMAN HAIR COLORING; HAIR CONDITIONERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 2000-02-15 US disclosed
EP-0970041-A1 NEW DIAMINOALKANE AND OXIDATION DYEING AGENT Hans Schwarzkopf GmbH & Co. KG (DE) 2000-01-12 EP disclosed
WO-1998001418-A1 NEW DIAMINOALKANE AND OXIDATION DYEING AGENT HANS SCHWARZKOPF GMBH & CO.KG (DE) 1998-01-15 WO disclosed