SCHEMBL6775969

SCHEMBL6775969

CC(C)(C)OC(=O)N[C@H](CCC(=O)O)COc1ccc2ccnc(N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
AAK1 Q2M2I8 7/20 0.36
PTPN1 P18031 2/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
ATM Q13315 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6771855 0.77 F10 (0.39) F10PTPN1
Trifluoroacetic Acid SCHEMBL6769296 0.74 F10 (0.40) F10PTPN1
SCHEMBL6553856 0.73 HDAC3 (0.47) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3911676 0.73 AAK1 (0.44) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3909952 0.73 AAK1 (0.44) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22526181 0.72 ITGB3 (0.44) HDAC8ATM
SCHEMBL30169343 0.71 ATM (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22527004 0.70 ATM (0.42) F10AAK1HDAC3HDAC4HDAC1
SCHEMBL30169063 0.70 ATM (0.42) F10AAK1HDAC3HDAC4HDAC1
SCHEMBL22526731 0.70 ATM (0.40) F10AAK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed