SCHEMBL11149031

SCHEMBL11149031

O=S(=O)(O)c1ccc(NCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA5A P35218 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
NT5E P21589 1/20 0.43
CA5B Q9Y2D0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TYMS P04818 1/20 0.40
ABCB11 O95342 1/20 0.40
TIMP3 P35625 1/20 0.40
CYP2C19 P33261 1/20 0.40

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 SCHEMBL30019534 0.87 CA12 (0.43) CA1CA2CA12CA9CA5A
SCHEMBL9816419 0.84 TYMS (0.39) CA1CA2CA12CA9CA5A
SCHEMBL21589347 0.83 LMNA (0.48) CA1CA2CA12CA9LMNA
Sulfuric Acid SCHEMBL28952576 0.83 CA2 (0.59) CA1CA2CA12CA9CA5A
SCHEMBL8212136 0.82 GHSR (0.47) CA1CA2CA12CA9CA5A
SCHEMBL9800407 0.82 TSHR (0.47) CA1CA2CA12CA9LMNA
SCHEMBL10759252 0.82 EDNRA (0.48) CA1CA2CA12CA9LMNA
SCHEMBL27540686 0.82 CA2 (0.62) CA1CA2CA12CA9CA5A
SCHEMBL6152657 0.80 MAPT (0.50) LMNAALDH1A1
SCHEMBL14240063 0.79 CA2 (0.49) CA1CA2CA12CA9LMNA

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
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN disclosed
US-4368287-A POLYESTER CONTAINING AMINO-SULFONIC AMPHOIONIC GROUP NIPPON PAINT CO., LTD. (JP) 1983-01-11 US disclosed
US-4328143-A Aqueous coating composition NIPPON PAINT COMPANY, LTD. (JP) 1982-05-04 US disclosed
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed