SCHEMBL5353528

SCHEMBL5353528

COC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1CO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 3/20 0.39
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
KCNN4 O15554 1/20 0.38
BRD4 O60885 2/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL5359650 0.89 MAPT (0.41) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5357188 0.80 MAPT (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4285291 0.78 TP53 (0.44) MAPTALDH1A1KMT2AKDM4ETSHR
SCHEMBL3147317 0.75 GABRP (0.40) MAPTALDH1A1KDM4ELMNA
SCHEMBL3846829 0.75 GAA (0.44) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL28916239 0.75 MAPT (0.43) MAPTALDH1A1NR4A2KDM4ETSHR
SCHEMBL28916204 0.74 KDM4E (0.42) MAPTALDH1A1KDM4ETSHRKCNN4
SCHEMBL31499306 0.74 GAA (0.42) MAPTKMT2ANR4A2KDM4EGLA
SCHEMBL3893167 0.74 SLC6A3 (0.52) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3846579 0.73 SLC6A3 (0.52) MAPTALDH1A1KMT2AMEN1L3MBTL1

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed