SCHEMBL15327583

SCHEMBL15327583

COc1ccc(CCNC(=O)Oc2cc(-c3ccccc3C)cc(-n3cnnn3)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15327582 0.92 MAPK1 (0.51) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327731 0.91 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327633 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327659 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327674 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327605 0.90 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327601 0.90 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327475 0.90 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327627 0.90 MEN1 (0.53) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL15327696 0.89 LMNA (0.55) ALDH1A1LMNAMAPK1KMT2AMEN1

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-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed