SCHEMBL5333233

SCHEMBL5333233

Cn1nc(-c2ccc(F)cc2)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.48
PHGDH O43175 11/20 0.47
ASIC1 P78348 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
TGFBR1 P36897 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
SCHEMBL13539293 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1414029 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28014536 0.84 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3103714 0.84 MAPT (0.51) KDM4EALDH1A1HPGDMAPTPHGDH
SCHEMBL2678185 0.84 PHGDH (0.60) PHGDHPTPN1
SCHEMBL30722849 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5306917 0.81 PHGDH (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28014600 0.81 HDAC6 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28035907 0.79 HDAC6 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13975005 0.79 MAPT (0.62) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 EP disclosed
EP-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 EP disclosed
WO-2007079086-A1 PYRAZOLOALKYL SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-12 WO disclosed