SCHEMBL29613752

SCHEMBL29613752

O=C(O)c1ccc2[nH]c(Cc3ccccc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
PKM P14618 3/20 0.56
TSHR P16473 2/20 0.56
PDE5A O76074 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
RIPK1 Q13546 1/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TOP2A P11388 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.48
RNASEH1 O60930 1/20 0.48
GRIN1 Q05586 1/20 0.48

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
SCHEMBL22775824 1.00 GAA (0.60) GAAPKMTSHRPDE5ANPSR1
SCHEMBL23280146 0.89 NPSR1 (0.50) GAAPKMPDE5ANPSR1MAPT
SCHEMBL6368877 0.89 GAA (0.57) GAAPKMTSHRMAPTKDM4E
SCHEMBL20085778 0.89 GAA (0.68) GAAPKMTSHRPDE5ANPSR1
SCHEMBL6165371 0.89 F2 (0.58) GAATSHRNPSR1MAPTKDM4E
SCHEMBL22775734 0.88 PDE5A (0.56) GAAPKMTSHRPDE5ANPSR1
SCHEMBL29431250 0.88 PDE5A (0.56) GAAPKMTSHRPDE5ANPSR1
SCHEMBL23280184 0.88 NR4A2 (0.49) GAAPKMTSHRPDE5ANPSR1
Guanidine SCHEMBL8688551 0.87 F2 (0.52) GAAPKMTSHRPDE5ANPSR1
SCHEMBL13991772 0.85 SMN1; SMN2 (0.56) GAAPKMTSHRMAPTKDM4E

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-4259607-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2023-10-18 EP disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP disclosed