SCHEMBL2226435

SCHEMBL2226435

O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1.O=C(NCc1ccc(F)cc1)c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.57
HDAC1 Q13547 5/20 0.57
ACKR3 P25106 1/20 0.56
HDAC4 P56524 3/20 0.51
HDAC3 O15379 2/20 0.51
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN11 Q06124 1/20 0.47
ESRRG P62508 3/20 0.47
MLYCD O95822 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.44
AURKA O14965 1/20 0.44
KLKB1 P03952 1/20 0.44

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
SCHEMBL2227293 0.97 HDAC6 (0.60) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL2225264 0.94 HDAC6 (0.57) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3100874 0.81 HDAC6 (0.61) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3093069 0.79 HDAC6 (0.67) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3092930 0.78 HDAC6 (0.49) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL3092917 0.78 HDAC6 (0.49) HDAC6HDAC1ACKR3HDAC4HDAC3
SCHEMBL2203603 0.77 HDAC1 (0.77) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL3081838 0.76 HPGD (0.47) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL3081835 0.76 HPGD (0.47) HDAC6HDAC1HDAC4HDAC3LMNA
SCHEMBL2227818 0.75 HDAC1 (0.58) HDAC6HDAC1HDAC4HDAC3ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO claimed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP claimed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed