SCHEMBL6061077

SCHEMBL6061077

CCCCOC(=O)c1ncc2ccccc2c1-c1ccc(C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ELANE P08246 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL6060299 0.86 ALDH1A1 (0.43) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6060667 0.80 KDM4E (0.51) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL27653607 0.80 TSHR (0.50) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27913221 0.77 TSHR (0.53) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2350639 0.74 TSHR (0.42) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6060652 0.74 TSHR (0.47) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4503297 0.74 MAPT (0.51) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27906657 0.72 TSHR (0.53) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27906647 0.72 KMT2A (0.49) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL522441 0.71 GABRA1 (0.49) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2

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-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO disclosed