SCHEMBL8635574

SCHEMBL8635574

CCCOc1nc2c(CC)ccc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
BRS3 P32247 1/20 0.36
PTPN1 P18031 1/20 0.36
PPARG P37231 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
ESR2 Q92731 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 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
SCHEMBL5592930 0.79 BRS3 (0.39) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL8357464 0.79 FFAR1 (0.43) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL12475515 0.77 BRS3 (0.45) FFAR1AKR1B1EGLN1BRS3AGTR1
SCHEMBL8359682 0.76 FFAR1 (0.38) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL3976312 0.75 ALDH1A1 (0.42) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL8476707 0.75 KDM4E (0.41) FFAR1AKR1B1ALDH1A1KDM4EBRS3
SCHEMBL8357465 0.74 BRS3 (0.45) FFAR1AKR1B1EGLN1BRS3AGTR1
SCHEMBL7376271 0.72 ALDH1A1 (0.42) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL3978309 0.71 FFAR1 (0.43) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL9303359 0.71 HPGD (0.39) FFAR1AKR1B1ALDH1A1KDM4EBRS3

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-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed