SCHEMBL8606509

SCHEMBL8606509

O=C(O)CCCc1cn2cc(C(=O)O)nc2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
F13A1 P00488 3/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
TBXAS1 P24557 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRA1A P35348 1/20 0.31
HDAC4 P56524 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8607381 0.92 PTGS1 (0.40) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8606986 0.81 F13A1 (0.33) F13A1KMT2AMEN1TBXAS1CYP1A2
SCHEMBL8610121 0.80 PTGS1 (0.37) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8608010 0.79 RXFP1 (0.33) PTGS1PTGS2RXFP1
SCHEMBL8608478 0.77 RXFP1 (0.37) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8608846 0.76 PTGS1 (0.38) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8608439 0.76 PTGS1 (0.34) PTGS1PTGS2RXFP1
SCHEMBL8608817 0.74 TBXAS1 (0.49) PTGS1PTGS2TBXAS1CYP1A2ALDH1A1
SCHEMBL8608923 0.73 RXFP1 (0.39) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8609917 0.73 L3MBTL1 (0.35) KDM4EPOLBALDH1A1TDP1L3MBTL1

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-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed