SCHEMBL10445830

SCHEMBL10445830

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
CTSL P07711 7/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 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
SCHEMBL8041030 0.86 USP30 (0.48) USP30ITGB3ITGA2BCTSLCTSS
SCHEMBL10696299 0.83 USP30 (0.45) USP30MEN1KMT2AITGB3ITGB1
SCHEMBL7369942 0.81 GRB2 (0.36) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL7369938 0.81 GRB2 (0.36) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL8058939 0.80 PTPN1 (0.57) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7275364 0.76 CA2 (0.62) MEN1KMT2AFPR2
SCHEMBL10445581 0.75 CTSL (0.50) KMT2ACTSLCTSSCTSK
SCHEMBL7378185 0.73 ITGB3 (0.57) KMT2AITGB3ITGB1ITGAVITGA2B
SCHEMBL7378190 0.73 ITGB3 (0.57) KMT2AITGB3ITGB1ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL17894404 0.72 EPHX2 (0.53) HDAC3HDAC1HDAC6

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-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed