Sulfuric Acid

Sulfuric Acid

SCHEMBL6653587

Cc1cc(N)ccc1N1CCCC1.O=S(=O)(O)O

nearest known ligand 0.78

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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
MAPT P10636 9/20 0.78
ALDH1A1 P00352 8/20 0.78
MEN1 O00255 6/20 0.78
KMT2A Q03164 6/20 0.78
GAA P10253 5/20 0.78
THRB P10828 3/20 0.78
NR4A1 P22736 1/20 0.78
PTK2B Q14289 1/20 0.78
GFER P55789 2/20 0.55
RAD52 P43351 2/20 0.55
KDM4E B2RXH2 4/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
YWHAG P61981 1/20 0.54
HTT P42858 2/20 0.53
POLB P06746 3/20 0.51
ALDH1A3 P47895 2/20 0.51
MAPK1 P28482 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL6156455 0.90 ALDH1A1 (0.96) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL241271 0.88 ALDH1A1 (0.93) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7031588 0.86 ALDH1A1 (0.89) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6272228 0.84 ALDH1A1 (0.86) MAPTALDH1A1MEN1KMT2AGAA
Sulfuric Acid SCHEMBL7807226 0.83 KDM4E (0.57) MAPTALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7051020 0.83 ALDH1A1 (0.89) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL15358737 0.82 MAPT (0.81) MAPTALDH1A1MEN1KMT2AGAA
Sulfuric Acid SCHEMBL7811911 0.82 RAB9A (0.59) MAPTALDH1A1MEN1KMT2AGAA
Sulfuric Acid SCHEMBL7811935 0.82 RAB9A (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3658575 0.80 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AGAA

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
EP-0891765-B1 Oxidative hair dye compositions P & G CLAIROL INC (US) 2004-06-16 EP disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 EP disclosed
US-5851237-A Oxidative hair dye compositions and methods containing 1--(4-aminophenyl) pyrrolidines NOXELL CORPORATION 1998-12-22 US disclosed