SCHEMBL5366279

SCHEMBL5366279

N#Cc1cc(CO)nn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.33
NOTUM Q6P988 5/20 0.33
ACSS2 Q9NR19 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGS2 P35354 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
SCHEMBL5363639 0.85 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL3148117 0.78 P2RX7 (0.37) P2RX7NOTUMCA1CA2CA9
SCHEMBL20745930 0.77 P2RX7 (0.36) MAPTALOX15MAPK1TDP1P2RX7
SCHEMBL3903645 0.74 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL15273739 0.67 BCHE (0.34) MAPTNOTUMCA1CA2CA9
SCHEMBL5357402 0.66 P2RX7 (0.40) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL5357212 0.65 TSHR (0.34) KDM4EALDH1A1MAPK1TDP1
SCHEMBL7470953 0.64 P2RX7 (0.53) P2RX7NOTUMACSS2L3MBTL1
SCHEMBL3148070 0.62 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2891146 0.62 POLB (0.32) KDM4E

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