SCHEMBL28626699

SCHEMBL28626699

O=Cc1ccccc1C(=O)Oc1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTK2B Q14289 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDCD1 Q15116 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
SCHEMBL733386 0.82 HSD17B10 (0.59) HPGDHSD17B10ALOX15ALDH1A1KMT2A
SCHEMBL4342445 0.80 ALDH1A1 (0.50) PTGS2HPGDHSD17B10ALOX15ALDH1A1
SCHEMBL28626078 0.80 PTK2B (0.57) HPGDHSD17B10ALOX15ALDH1A1KMT2A
SCHEMBL733572 0.75 MAPT (0.57) HPGDALDH1A1KMT2AMAPTKDM4E
SCHEMBL4325622 0.75 PTGS2 (0.73) PTGS2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL7616356 0.74 CES2 (0.59) HSD17B10ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8983809 0.71 CES2 (0.59) HPGDALDH1A1KMT2ATSHRMAPT
SCHEMBL5087773 0.71 HSD17B10 (0.57) HPGDHSD17B10ALOX15ALDH1A1KMT2A
SCHEMBL70411 0.71 HSD17B10 (0.61) HPGDHSD17B10ALOX15ALDH1A1KMT2A
SCHEMBL70410 0.71 HSD17B10 (0.61) HPGDHSD17B10ALOX15ALDH1A1KMT2A

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
CN-113444099-B Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 CN disclosed
CN-113444099-A Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2021-09-28 CN disclosed