SCHEMBL7376271

SCHEMBL7376271

CCCNc1nc2cccc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
RIPK1 Q13546 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL8357464 0.83 FFAR1 (0.43) ALDH1A1KDM4EL3MBTL1PPARGFFAR1
SCHEMBL3976312 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EPPARGFFAR1AKR1B1
SCHEMBL3978309 0.83 FFAR1 (0.43) ALDH1A1KDM4EHPGDTDP1NPSR1
SCHEMBL8359613 0.80 FFAR1 (0.41) ALDH1A1KDM4EPPARGFFAR1AKR1B1
SCHEMBL8417854 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL8417863 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL3976502 0.74 PPARG (0.47) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL7376273 0.73 BRS3 (0.42) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL8419218 0.72 MEN1 (0.38) ALDH1A1KDM4ETDP1L3MBTL1NPSR1
SCHEMBL8357062 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTDP1LMNA

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