SCHEMBL21795694

SCHEMBL21795694

c1cc(-c2nnco2)cc(-c2nnco2)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.75
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
TLR8 Q9NR97 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL11232897 0.92 NOTUM (0.74) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL1016310 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL31291162 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3809272 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL942003 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL23451501 0.86 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL859977 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL21776860 0.86 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3794714 0.86 NOTUM (0.64) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL28305166 0.86 NOTUM (0.58) NOTUMALDH1A1HPGDMAPK1KDM4E

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-2157119-B1 Electronic device comprising semiconducting polymers XEROX CORP (US) 2020-03-11 EP disclosed