SCHEMBL5789376

SCHEMBL5789376

COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(F)(F)F)cc1)=NC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.36
KDM4E B2RXH2 5/20 0.34
FFAR4 Q5NUL3 4/20 0.34
TP53 P04637 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
SLC2A1 P11166 1/20 0.34
MAPT P10636 2/20 0.33
PDE4D Q08499 1/20 0.33
NTSR1 P30989 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
NFE2L2 Q16236 1/20 0.32
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HTT P42858 1/20 0.31
MITF O75030 1/20 0.31

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 SCHEMBL6159007 0.99 CTSA (0.36) CTSAKDM4EFFAR4TP53HPGD
SCHEMBL5789396 0.89 MAPK10 (0.37) KDM4EFFAR4TP53HPGDSMN1; SMN2
SCHEMBL5784435 0.87 SLC2A1 (0.36) KDM4EFFAR4TP53HPGDSMN1; SMN2
SCHEMBL5783871 0.87 SLC2A1 (0.36) CTSAKDM4EFFAR4TP53HPGD
SCHEMBL5785304 0.87 KDM4E (0.40) KDM4EFFAR4TP53HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5784634 0.87 SCN5A (0.34) KDM4EFFAR4TP53HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5782174 0.87 KDM4E (0.35) KDM4EFFAR4TP53HPGDSMN1; SMN2
SCHEMBL5783700 0.86 CYP1A2 (0.36) KDM4EFFAR4TP53HPGDSMN1; SMN2
SCHEMBL5785621 0.86 TP53 (0.37) KDM4EFFAR4TP53HPGDSMN1; SMN2
SCHEMBL5782315 0.86 KDM4E (0.39) KDM4EFFAR4TP53HPGDSMN1; SMN2

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-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed