SCHEMBL13763494

SCHEMBL13763494

Cc1cc(N=Nc2c(C)c(NC=O)c(=O)n(C)c2O)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ MPL P40238 4/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ P2RX5 Q93086 1/20 0.30
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL18218131 0.73 MAPT (0.37) BRD4MPLMEN1ALDH1A1MAPT
SCHEMBL18218247 0.69 BRD4 (0.36) BRD4TP53CREBBPMPLMAPT
SCHEMBL18218228 0.67 BRD4 (0.37) BRD4TP53CREBBPMPLMAPT
SCHEMBL10615204 0.66 KMT2A (0.48) BRD4TP53CREBBPMPLMEN1
SCHEMBL13763486 0.65 SUMO2 (0.34) BRD4TP53CREBBPMPLMEN1
SCHEMBL18218226 0.65 BRD4 (0.38) BRD4TP53CREBBPMPLMAPT
SCHEMBL8008363 0.64 SUMO2 (0.36) BRD4TP53CREBBPMPLMEN1
SCHEMBL9401958 0.63 TTR (0.31) —
SCHEMBL18218278 0.61 BRD4 (0.34) BRD4TP53CREBBPMPLMAPT
SCHEMBL1806160 0.61 TP53 (0.46) BRD4TP53CREBBPMPLMEN1

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
EP-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 — — EP disclosed
Send feedback