SCHEMBL117175

SCHEMBL117175

O=C(Oc1ccccc1F)c1cc2ccccc2cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A4 P14672 1/20 0.40
FAAH O00519 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 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
SCHEMBL9318876 0.82 EGLN1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8414880 0.81 EGLN1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL117096 0.76 ALDH1A1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27401575 0.75 P4HTM (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29840564 0.74 LCK (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL214090 0.74 LCK (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3127626 0.74 NPC1 (0.46) MAPTNPC1EGLN1
SCHEMBL28229449 0.73 EGLN1 (0.48) MAPTEGLN1KMT2A
Hydrochloric Acid SCHEMBL27800514 0.73 LCK (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5805411 0.72 MAPT (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2424532-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS Queen Mary and Westfield College (GB) 2012-03-07 EP disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 WO disclosed