SCHEMBL8720494

SCHEMBL8720494

CCOC(=O)C(CC)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
PIN1 Q13526 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8723574 0.87 KIF11 (0.34) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL9248543 0.80 ELANE (0.35) ALDH1A1PIN1TDP1MEN1NPC1
SCHEMBL1562700 0.78 MAPT (0.45) GAAKDM4EALDH1A1NPC1TSHR
SCHEMBL8386864 0.77 CYP11B1 (0.31) L3MBTL1
Phosphonic Acid SCHEMBL9360448 0.75 LMNA (0.35) LMNA
Phosphonic Acid SCHEMBL9540518 0.75
SCHEMBL16017463 0.74 TP53 (0.38) TSHRL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL16017457 0.74 TP53 (0.38) TSHRL3MBTL1MAPTLMNASMN1; SMN2
Diethyl Hydrogen Phosphate SCHEMBL27400284 0.74 POLB (0.36) GAAALDH1A1TSHRMAPTLMNA
Phosphonic Acid SCHEMBL9542029 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed