SCHEMBL2649546

SCHEMBL2649546

CCOC(=O)C1C=NC(C)=C(c2ccc(Br)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
TARBP2 Q15633 1/20 0.41
MAPT P10636 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL2649991 0.87 LMNA (0.46) TARBP2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2649211 0.87 RAB9A (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2648348 0.86 ALDH1A1 (0.47) HTTTARBP2MAPTMEN1KMT2A
SCHEMBL2651383 0.84 KDM4E (0.39) MAPTKMT2AMAPK1SMN1; SMN2LMNA
SCHEMBL2649285 0.83 RAB9A (0.48) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2649878 0.76 ALDH1A1 (0.45) HTTMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL2649623 0.76 CNR2 (0.43) CYP1A2POLB
SCHEMBL2649291 0.75 MAPT (0.50) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5782427 0.74 TDP2 (0.50) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL2649630 0.74 TDP1 (0.42) HTTMAPTMEN1KMT2AMAPK1

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
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed