SCHEMBL4060205

SCHEMBL4060205

CCCCC(CC)C(=O)Nc1cccc(-c2cnc(N)n2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.42
FYN P06241 1/20 0.39
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL4237389 0.88 MAPT (0.44) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4054295 0.78 MAPT (0.51) MAPTMEN1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL4058942 0.77 SCN9A (0.51) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL25681987 0.76 KMT2A (0.72) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL15604014 0.75 ALDH1A1 (0.64) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL3923314 0.72 MEN1 (0.89) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4055861 0.72 MAP4K4 (0.54) ALDH1A1MAPK1KMT2ASMN1; SMN2TSHR
SCHEMBL11652739 0.71 MEN1 (0.86) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL10470243 0.71 KMT2A (0.61) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4061445 0.71 HPGD (0.54) ALDH1A1MAPK1SMN1; SMN2LMNATSHR

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
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed