Sulfuric Acid

Sulfuric Acid

SCHEMBL9680698

COc1cc(N)ccc1NCCO.O=S(=O)(O)O

nearest known ligand 0.46

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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
CHRM2 known ✓ P08172 1/20 0.36
GAA P10253 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TNF P01375 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
RAPGEF3 O95398 1/20 0.37

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
SCHEMBL9499966 0.93 GAA (0.47) GAAMAPTSMN1; SMN2ALDH1A1TSHR
Sulfuric Acid SCHEMBL9682447 0.87 PTGER4 (0.49) GAAMAPTSMN1; SMN2ALDH1A1TSHR
Sulfuric Acid SCHEMBL4626210 0.81 MAPT (0.43) GAAMAPTALDH1A1TSHRTDP1
Sulfuric Acid SCHEMBL7809563 0.80 PRSS1 (0.44) GAAMAPTALDH1A1TSHRMAPK1
SCHEMBL3855076 0.80 RAD52 (0.47) GAAMAPTALDH1A1TSHRMAPK1
Sulfuric Acid SCHEMBL11060632 0.79 MAPT (0.42) GAAMAPTALDH1A1TSHRTDP1
Sulfuric Acid SCHEMBL10587043 0.79 RAPGEF4 (0.38) GAAMAPTSMN1; SMN2ALDH1A1TSHR
Sulfuric Acid SCHEMBL4244724 0.79 CHRM2 (0.58) ALDH1A1TSHRHTTHSD17B10KDM4E
Sulfuric Acid SCHEMBL11325766 0.79 ALDH1A1 (0.54) GAAMAPTSMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11143842 0.79 KDM4E (0.46) GAAMAPTALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167669-A Hair dyes L'OREAL (FR) 1992-12-01 US disclosed
US-5096455-A PROCESS FOR DYEING KERATINOUS FIBRES EMPLOYING AN INDOLE DYE AND AT LEAST ONE PARA-PHENYLENEDIAMINE CONTAINING A SECONDARY AMINO GROUP ABSENT AN OXIDANT OTHER THAN AIR L'OREAL (FR) 1992-03-17 US disclosed
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed