SCHEMBL6011771

SCHEMBL6011771

COC(=O)C(CCC=O)c1c(-c2ccccc2C)nc2ccc(C)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALOX5 P09917 1/20 0.35
DPP4 P27487 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2936497 0.86 KDM4E (0.45) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL2930621 0.76 KDM4E (0.47) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6517141 0.71 KDM4E (0.46) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6012080 0.69 KDM4E (0.42) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL28383326 0.68 NR1H4 (0.50) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6012061 0.68 NR1H4 (0.56) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6011764 0.68 TGFBR1 (0.39)
SCHEMBL6011922 0.68 NR1H4 (0.53) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6012052 0.66 KDM4E (0.39) NR1H4KDM4EALDH1A1RAB9ANPC1
SCHEMBL13341943 0.65 ALDH1A1 (0.47) KDM4EALDH1A1RAB9ANPC1HPGD

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-1682549-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS Sepracor Inc. (US) 2006-07-26 EP disclosed
WO-2005044818-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR, INC. (US) 2005-05-19 WO disclosed