Sulfuric Acid

Sulfuric Acid

SCHEMBL7327338

COC(=O)c1ccc2c(c1)ncn2C.O=S(=O)(O)O

nearest known ligand 0.59

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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
FGFR1 P11362 2/20 0.59
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NAMPT P43490 1/20 0.50
PRNP P04156 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47

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
SCHEMBL541597 0.94 FGFR1 (0.64) FGFR1KMT2AGAAHPGDMAPT
Sulfuric Acid SCHEMBL7333943 0.89 FGFR1 (0.49) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL29555125 0.82 FGFR1 (0.53) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL3492748 0.82 FGFR1 (0.53) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL16496035 0.79 NAMPT (0.57) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL10354608 0.79 KMT2A (0.59) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL9630993 0.78 FGFR1 (0.63) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL1306276 0.78 FGFR1 (0.53) FGFR1KMT2AHPGDMAPTRAB9A
SCHEMBL12600063 0.78 ALDH1A1 (0.51) FGFR1KMT2AGAAHPGDMAPT
SCHEMBL599310 0.77 HCAR3 (0.65) FGFR1KMT2AGAAHPGDMAPT

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-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed