SCHEMBL25697207

SCHEMBL25697207

CCOC(=O)c1cc2cc(/N=N/c3ccc(Br)cc3)ccc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.63
MAOA P21397 3/20 0.63
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA3 P07451 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
CA5B Q9Y2D0 1/20 0.61
MIF P14174 1/20 0.54
PFKFB3 Q16875 1/20 0.54
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.52
GLA P06280 3/20 0.52
GAA P10253 3/20 0.52
HPGD P15428 2/20 0.52
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 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
SCHEMBL25696974 0.90 MAOB (0.65) MAOBMAOACA12CA2CA3
SCHEMBL11484256 0.87 MAOB (0.74) MAOBMAOACA12CA2CA3
SCHEMBL30426071 0.86 MAOB (0.60) MAOBMAOACA12CA2CA3
SCHEMBL25207557 0.82 GPR35 (0.72) MAOBMAOACA12CA2CA3
SCHEMBL25237481 0.82 GPR35 (0.72) MAOBMAOACA12CA2CA3
SCHEMBL25209181 0.81 MAOB (0.65) MAOBMAOACA12CA2CA3
SCHEMBL21585388 0.79 MIF (0.74) MAOBMAOACA12CA2CA3
SCHEMBL30595106 0.79 MAOB (0.78) MAOBMAOACA12CA2CA3
SCHEMBL11486663 0.79 MAOB (0.78) MAOBMAOACA12CA2CA3
SCHEMBL6417829 0.78 MAOB (1.00) MAOBMAOACA12CA2CA3

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-4436956-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2024-10-02 EP disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed