SCHEMBL7542447

SCHEMBL7542447

CCOC(=O)N1CCc2cc(OCCOC)c(C3=NCCN3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP3K5 Q99683 6/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
F10 P00742 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL8218663 0.78 KDM4E (0.39) KDM4E
SCHEMBL7543472 0.78 KDM4E (0.36) KDM4E
SCHEMBL7534836 0.76 KMT2A (0.47) KMT2AMAPTLMNAHPGDHTT
SCHEMBL7538218 0.72 SIGMAR1 (0.47) KMT2AMAPTMAP3K5MEN1
SCHEMBL8218198 0.71 NISCH (0.40) LMNAKDM4E
SCHEMBL7538424 0.68 REN (0.33) KMT2AMEN1KDM4EALDH1A1
Iodide SCHEMBL7537909 0.68 NOS3 (0.36)
SCHEMBL8218532 0.68 NISCH (0.38) KDM4E
SCHEMBL11197473 0.66 ALDH1A1 (0.59) KMT2AMAPTLMNAMEN1KDM4E
Iodide SCHEMBL7537243 0.66 ESR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed