SCHEMBL7938848

SCHEMBL7938848

O=C(O)C1=COC(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
SIRT1 Q96EB6 7/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.34
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EDNRA P25101 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT5 Q9NXA8 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3767655 0.84 ALDH1A1 (0.39) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL5373713 0.81 ALDH1A1 (0.38) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL232142 0.80 UNG (0.45) KMT2AMEN1POLBSIRT1ALDH1A1
SCHEMBL5391673 0.79 CA12 (0.37) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL1671260 0.79 NOTUM (0.33) HDAC4
SCHEMBL1446431 0.74 MAPT (0.39) KMT2APOLBLMNAALDH1A1KDM4E
SCHEMBL230546 0.69 CTRB1 (0.36)
SCHEMBL21617570 0.68 MEN1 (0.55) KMT2AMEN1POLBLMNASIRT1
SCHEMBL422233 0.67 PARP1 (0.44) SIRT1ALDH1A1KDM4ETSHRSIRT2
SCHEMBL27635617 0.67

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
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed