SCHEMBL9757029

SCHEMBL9757029

O=C(O)c1cc2cc(CBr)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.56
BCL2L1 Q07817 1/20 0.54
GPR35 Q9HC97 2/20 0.50
HDAC1 Q13547 5/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK1 P49759 4/20 0.42
DYRK1A Q13627 4/20 0.42
DYRK1B Q9Y463 3/20 0.42
LMNA P02545 1/20 0.42
PTPN2 P17706 2/20 0.41

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
SCHEMBL26107968 0.87 TBXAS1 (0.56) TBXAS1BCL2L1GPR35HDAC1MEN1
SCHEMBL17486405 0.85 CLK1 (0.61) TBXAS1HDAC1KMT2ACLK1DYRK1A
SCHEMBL2626934 0.85 TBXAS1 (0.57) TBXAS1BCL2L1GPR35HDAC1MEN1
SCHEMBL30474713 0.84 MEN1 (0.49) TBXAS1HDAC1MEN1KMT2ACLK1
SCHEMBL10951469 0.84 MEN1 (0.49) TBXAS1HDAC1MEN1KMT2ACLK1
SCHEMBL17173220 0.83 TBXAS1 (0.56) TBXAS1BCL2L1GPR35HDAC1MEN1
SCHEMBL2895956 0.83 KMT2A (0.61) TBXAS1BCL2L1GPR35HDAC1MEN1
SCHEMBL10374158 0.80 CA2 (0.56) TBXAS1BCL2L1GPR35HDAC1MEN1
SCHEMBL17433719 0.79 STING1 (0.42) TBXAS1HDAC1MEN1KMT2ACLK1
SCHEMBL9176841 0.79 CYP4F2 (0.51) HDAC1CLK1DYRK1ADYRK1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP disclosed