SCHEMBL19975463

SCHEMBL19975463

COS(=O)(=O)OCn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TBXAS1 P24557 2/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL21332122 0.84 ALDH1A1 (0.40) ALDH1A1TBXAS1EGLN3CYP11B1CYP11B2
SCHEMBL28075752 0.78 ALDH1A1 (0.46) ALDH1A1TBXAS1EGLN3
SCHEMBL28808679 0.74 CA2 (0.39) ALDH1A1TBXAS1EGLN3
SCHEMBL425674 0.74
SCHEMBL22832290 0.71 ALDH1A1 (0.43) ALDH1A1TBXAS1EGLN3CYP11B1CYP11B2
SCHEMBL9715412 0.71 ALDH1A1 (0.53) ALDH1A1CYP11B1CYP11B2
SCHEMBL12223690 0.70 TBXAS1 (0.45) ALDH1A1TBXAS1CYP11B1CYP11B2
Sulfuric Acid SCHEMBL28167966 0.70 ALDH1A1 (0.42) ALDH1A1TBXAS1EGLN3
Sulfuric Acid Dimethyl Ester SCHEMBL28773173 0.69 HSD17B10 (0.62) ALDH1A1TBXAS1
SCHEMBL27914061 0.69 TBXAS1 (0.53) ALDH1A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512905-A1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2019-07-24 EP disclosed
WO-2018050489-A1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2018-03-22 WO disclosed