SCHEMBL10696299

SCHEMBL10696299

CC(=O)C(N)C(F)(F)C(=O)C(Cc1ccc(NC(=N)N)cc1)NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FPR2 P25090 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ITGB1 P05556 2/20 0.41
ITGAV P06756 2/20 0.41
ITGB5 P18084 2/20 0.41

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
SCHEMBL10432279 0.87 ITGB3 (0.48) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL8041030 0.87 USP30 (0.48) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL10432274 0.86 RAB9A (0.50) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL10432366 0.84 NOS3 (0.38) USP30HDAC1HDAC8HDAC6MEN1
SCHEMBL10445830 0.83 USP30 (0.44) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL8058939 0.81 PTPN1 (0.57) FPR2ITGB3ITGA2BITGB1ITGAV
SCHEMBL7275364 0.76 CA2 (0.62) FPR2MEN1KMT2A
SCHEMBL10432182 0.74 ITGB3 (0.36) USP30ITGB3ITGA2BITGB1ITGAV
SCHEMBL7378185 0.73 ITGB3 (0.57) KMT2AITGB3ITGA2BITGB1ITGAV
SCHEMBL7378190 0.73 ITGB3 (0.57) KMT2AITGB3ITGA2BITGB1ITGAV

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
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed