SCHEMBL7945335

SCHEMBL7945335

COc1cc(N(Cc2cncs2)c2ccc(C(=O)O)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CXCL12 P48061 1/20 0.41
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
RAB9A P51151 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.39
ACP1 P24666 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 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
SCHEMBL3211820 0.91 CA12 (0.45) MEN1KMT2ARXRARXRBRXRG
SCHEMBL3125823 0.87 TSHR (0.52) HTTRXRARXRBRXRGTSHR
SCHEMBL3215147 0.87 TSHR (0.46) RXRARXRBRXRGPOLBCASP6
SCHEMBL2908361 0.87 MKNK1 (0.41) CYP1A2MEN1KMT2ARXRARXRB
SCHEMBL2902512 0.86 LMNA (0.48) HTTRAB9ARXRARXRBRXRG
SCHEMBL3216019 0.86 RXRA (0.49) MEN1KMT2ARXRARXRBRXRG
SCHEMBL3125356 0.85 RXRA (0.39) HTTRAB9AKMT2ARXRARXRB
SCHEMBL3131039 0.85 RXRA (0.39) HTTRAB9AMEN1KMT2ARXRA
SCHEMBL3213634 0.85 CA12 (0.35) HTTRAB9AMEN1KMT2ARXRA
SCHEMBL16160340 0.83 KMT2A (0.39) CYP1A2MEN1KMT2ASMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed