SCHEMBL24752113

SCHEMBL24752113

O=Nc1ccc(C(=O)O)cc1OC1COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
KMO O15229 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDE4D Q08499 13/20 0.37
PDE4A P27815 7/20 0.37
PDE4C Q08493 7/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24752107 0.85 PDE4B (0.42) PDE4BCA12CA1CA2CA7
SCHEMBL16618391 0.79 KMT2A (0.42) PDE4BKMOCA12CA1CA2
SCHEMBL15573836 0.78 CA12 (0.63) PDE4BCA12CA1CA2CA4
SCHEMBL29189599 0.78 PDE4B (0.43) PDE4BKMOCA12CA1CA2
SCHEMBL12492024 0.77 PDE4B (0.46) PDE4BKMOCA12CA1CA2
SCHEMBL2593591 0.77 RAB9A (0.55) PDE4BKMOCA12CA1CA2
SCHEMBL29189643 0.76 PDE4B (0.41) PDE4BKMOCA12CA1CA2
SCHEMBL29189597 0.75 CASP6 (0.56) ALDH1A1TSHR
SCHEMBL16510466 0.73 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL24287952 0.73 PDE4A (0.43) PDE4BCA12CA1CA2CA4

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
WO-2022263472-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-22 WO disclosed
EP-4105218-A1 SUBSTITUTED PYRROLO[2,3-D] PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-21 EP disclosed