SCHEMBL10695424

SCHEMBL10695424

CC(=O)CCn1c(=O)c2c(ncn2CC2(C)OCCO2)n(Cc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CNOT7 Q9UIV1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL10693464 0.85 PDE4A (0.63) TSHRMAPK1SMN1; SMN2USP2
SCHEMBL10694058 0.85 PDE4A (0.63) TSHRMAPK1SMN1; SMN2USP2
SCHEMBL10693479 0.84 PDE4A (0.61) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL9350641 0.78 CNOT7 (0.53) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL10695298 0.77 BRD4 (0.67) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL11058131 0.77 PDE4A (0.62)
SCHEMBL11057370 0.75 PDE4A (0.48) KMT2ACNOT7
SCHEMBL7567218 0.75 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL10697104 0.75 PDE4A (0.79) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL7558690 0.74 POLB (0.66) KMT2AMEN1ALDH1A1HPGDTSHR

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-0269451-A2 A new labelling design for a binding assay reagent SCLAVO, INC. (US) 1988-06-01 EP disclosed
EP-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed