SCHEMBL28041868

SCHEMBL28041868

CC(=O)Nc1cccc(C(N)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL10448435 0.83 POLB (0.41) CA1CA2ALDH1A1CYP2D6POLB
SCHEMBL21509870 0.83 POLB (0.41) CA1CA2ALDH1A1CYP2D6POLB
SCHEMBL17107060 0.82 HSD17B10 (0.50) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4597442 0.81 CTSL (0.46) CYP3A4RAB9ACYP1A2AAK1IDO1
SCHEMBL16690871 0.81 AAK1 (0.48) AAK1
SCHEMBL4597840 0.81 CTSL (0.46) CYP3A4RAB9ACYP1A2AAK1IDO1
SCHEMBL14870380 0.81 CTSS (0.46) AAK1TSHR
SCHEMBL4598462 0.81 CTSS (0.46) AAK1TSHR
SCHEMBL10319148 0.81 CTSL (0.46) CYP3A4RAB9ACYP1A2AAK1IDO1
SCHEMBL28076446 0.81 AAK1 (0.48) AAK1

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
CN-104981470-A Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use Bayer Pharma AG 2015-10-14 CN disclosed