SCHEMBL6011806

SCHEMBL6011806

Cc1ccc(-c2nc3ccc(C)cn3c2C(S)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
ALB P02768 1/20 0.52
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA3 P34903 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
GABRA2 P47869 1/20 0.52
KCNH2 Q12809 1/20 0.52
TP53 P04637 2/20 0.49
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL6216568 0.86 KDM4E (0.52) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL5253722 0.86 KDM4E (0.52) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL6216380 0.84 KDM4E (0.50) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL5250625 0.83 GABRA1 (0.52) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL6216161 0.83 GABRA1 (0.52) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL7998726 0.80 TP53 (0.56) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL6216979 0.79 NR1H4 (0.54) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL436359 0.78 GABRA1 (0.58) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL2931603 0.78 NPC1 (0.46) KDM4EHPGDGABRA1GABRB2HSD17B10
SCHEMBL8094715 0.77 KDM4E (0.50) KDM4EHPGDGABRA1GABRB2HSD17B10

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