SCHEMBL7376273

SCHEMBL7376273

CCCNc1nc2c(C(=O)O)ccc(Cc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PPARG P37231 2/20 0.36
MME P08473 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
XDH P47989 1/20 0.35

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
SCHEMBL3978313 0.82 BRS3 (0.46) BRS3AGTR1AGTR2GRIA2GRIA4
SCHEMBL8357465 0.82 BRS3 (0.45) BRS3AGTR1AGTR2GRIA2GRIA4
SCHEMBL3976315 0.82 BRS3 (0.44) BRS3AGTR1AGTR2GRIA2GRIA4
SCHEMBL8359615 0.79 BRS3 (0.44) BRS3AGTR1AGTR2MMEEGLN1
SCHEMBL12475515 0.75 BRS3 (0.45) BRS3AGTR1AGTR2GRIA2GRIA4
SCHEMBL7376271 0.73 ALDH1A1 (0.42) BRS3AGTR1AGTR2KDM4EALDH1A1
SCHEMBL9303359 0.70 HPGD (0.39) BRS3AGTR1AGTR2KDM4EALDH1A1
SCHEMBL5592930 0.70 BRS3 (0.39) BRS3KDM4EALDH1A1HPGDTDP1
SCHEMBL8476707 0.69 KDM4E (0.41) BRS3KDM4EALDH1A1LMNAHPGD
SCHEMBL7376267 0.68 PPARG (0.50) PPARG

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
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP disclosed