SCHEMBL638524

SCHEMBL638524

CC(C)(C)C(C(=O)O)(c1ccccc1)n1c(=O)[nH]c2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
FASN P49327 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
TDP2 O95551 1/20 0.36
B3GNT2 Q9NY97 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
CCR9 P51686 1/20 0.35
TNKS O95271 4/20 0.35
CYP19A1 P11511 1/20 0.34
PAX8 Q06710 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
GRM1 Q13255 1/20 0.34
CSF1R P07333 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
SCHEMBL640777 0.82 DAO (0.48) PGRL3MBTL1B3GNT2
SCHEMBL641033 0.81 DAO (0.45) B3GNT2
SCHEMBL7183033 0.69 MAPT (0.43) PGRL3MBTL1TNKS
SCHEMBL4241189 0.69 LMNA (0.51) PGRL3MBTL1
SCHEMBL639582 0.68 PGR (0.42) PGRFASNTDP2B3GNT2CYP19A1
SCHEMBL5794772 0.66 POLB (0.47) PGRL3MBTL1
SCHEMBL640386 0.66 PGR (0.44) PGRL3MBTL1FASNTDP2PYGL
SCHEMBL20079379 0.66 PGR (0.65) PGRB3GNT2
SCHEMBL16883632 0.66 CYP1A2 (0.55) PGRB3GNT2
SCHEMBL638525 0.65 PGR (0.38) PGRL3MBTL1TDP2CCR9

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
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed