SCHEMBL7836552

SCHEMBL7836552

Cn1cc(CC[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)c2c[nH]cn2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7452894 0.78 CNR1 (0.35) SMN1; SMN2
SCHEMBL7846509 0.78 TP53 (0.41) KDM4EHSD17B10KMT2AMEN1TP53
SCHEMBL6939460 0.75 HTR2A (0.46) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL6939466 0.75 HTR2A (0.46) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL7456307 0.75 SLC7A5 (0.35)
SCHEMBL6935332 0.72 ADA (0.57) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL7848120 0.72 ADA (0.35)
SCHEMBL7846771 0.71 ADA (0.51)
SCHEMBL7452055 0.66 MMP12 (0.34) KMT2AMEN1HTR2A
SCHEMBL7451266 0.66 HPGD (0.37) HPGDKMT2AMEN1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed