SCHEMBL4771852

SCHEMBL4771852

O=C(O)/C=C/c1cnc2c(c1)NCC(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
P4HTM Q9NXG6 1/20 0.40
ALOX5 P09917 2/20 0.39
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 5/20 0.35
TBXAS1 P24557 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL5276342 1.00 RAB9A (0.46) RAB9AP4HTMALOX5PIM2KDM4E
SCHEMBL15653009 0.81
SCHEMBL6219602 0.80 RAB9A (0.45) RAB9AP4HTMALOX5PIM2KDM4E
Hydrochloric Acid SCHEMBL5275271 0.78 RAB9A (0.44) RAB9AP4HTMALOX5PIM2KDM4E
SCHEMBL4778419 0.76 RAB9A (0.42) RAB9AP4HTMALOX5KDM4EALDH1A1
SCHEMBL5275224 0.76 RAB9A (0.42) RAB9AP4HTMALOX5KDM4EALDH1A1
SCHEMBL3888548 0.76 ALDH1A1 (0.44) RAB9AP4HTMALOX5KDM4EALDH1A1
SCHEMBL3888550 0.76 ALDH1A1 (0.44) RAB9AP4HTMALOX5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4777307 0.70 RAB9A (0.41) RAB9AP4HTMALOX5KDM4EALDH1A1
SCHEMBL21002093 0.70 KDM4E (0.59) RAB9AP4HTMKDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed