SCHEMBL10120710

SCHEMBL10120710

COc1ccc(-c2nc(N)sc2-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
XBP1 P17861 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADORA1 P30542 3/20 0.52
MYC P01106 1/20 0.51
WDR5 P61964 1/20 0.51
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
FBP1 P09467 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
ACHE P22303 1/20 0.45

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
SCHEMBL10120711 0.94 KDM4E (0.53) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL8067414 0.86 MAPT (0.69) KDM4EMAPTLMNAMAPK1XBP1
Hydrochloric Acid SCHEMBL9548025 0.85 KDM4E (0.67) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL28005220 0.84 TUBB4A (0.52) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL12802790 0.84 ALDH1A1 (0.64) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL10120709 0.83 ALDH1A1 (0.50) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL10120491 0.82 KDM4E (0.61) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL16669665 0.81 ALDH1A1 (0.75) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL3888491 0.81 DYRK1A (0.64) KDM4EMAPTLMNAMAPK1XBP1
SCHEMBL18041689 0.80 TGFBR1 (0.61) KDM4EMAPTLMNAMAPK1XBP1

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
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed