SCHEMBL9276293

SCHEMBL9276293

Cc1cc(C(=O)O)c(N)c(O)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL27871751 0.85 KDM4E (0.55) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL31423245 0.83 KDM4E (0.53) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL27565198 0.83 KDM4E (0.53) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL15201876 0.82 HMGB1 (0.44) KDM4EHMGB1CXCL12ALDH1A1HPGD
Acetic Acid SCHEMBL28329525 0.81 KDM4E (0.52) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL27441043 0.81 KDM4E (0.55) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL9273928 0.81 AKR1C4 (0.47) KDM4EALDH1A1HPGDHSD17B10AKR1C4
SCHEMBL28051617 0.81 KDM4E (0.60) KDM4EHMGB1CXCL12GABRPGABRD
SCHEMBL9273218 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23951045 0.80 KDM4E (0.50) KDM4EHMGB1CXCL12GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643686-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1995-03-22 EP claimed
WO-1993005012-A1 NEW COMPOUNDS AB ASTRA (SE) 1993-03-18 WO claimed
EP-0530166-A2 3-Hydroxy anthranilic acid derivatives for inhibiting 3-hydroxy anthranilate oxygenase Astra Aktiebolag (SE) 1993-03-03 EP claimed
EP-0643686-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1995-03-22 EP disclosed
WO-1993005012-A1 NEW COMPOUNDS AB ASTRA (SE) 1993-03-18 WO disclosed
EP-0530166-A2 3-Hydroxy anthranilic acid derivatives for inhibiting 3-hydroxy anthranilate oxygenase Astra Aktiebolag (SE) 1993-03-03 EP disclosed