SCHEMBL15095006

SCHEMBL15095006

O=C(O)C1Cc2c(cccc2C(=O)C(OCc2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CREBBP Q92793 3/20 0.38
BRD4 O60885 2/20 0.38
TDP1 Q9NUW8 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL12628272 0.74 BRD4 (0.49) GAAMAPTCREBBPBRD4TDP1
SCHEMBL28784684 0.73 MAPT (0.48) GAAMAPTALDH1A1KCNH2
SCHEMBL27768409 0.71 GAA (0.54) GAAMAPTTDP1ALDH1A1
SCHEMBL27768438 0.70 MAPT (0.53) GAAMAPTCREBBP
SCHEMBL13228878 0.69 MAPT (0.49) GAAMAPTCREBBPALDH1A1RXFP1
SCHEMBL12629105 0.68 MAPT (0.47) GAAMAPTALDH1A1RXFP1
SCHEMBL13229755 0.68 S1PR5 (0.53) GAAMAPTCREBBPBRD4
SCHEMBL12629101 0.67 GAA (0.49) GAAMAPT
SCHEMBL27768522 0.67 MAPT (0.49) GAAMAPTCREBBPALDH1A1RXFP1
SCHEMBL27768506 0.67 GAA (0.49) GAAMAPTKCNH2

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-2800738-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE Spinifex Pharmaceuticals Pty Ltd (AU) 2014-11-12 EP disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 WO disclosed