SCHEMBL7997616

SCHEMBL7997616

COc1ccc2ccc(S(=O)(=O)N3CC(=O)N(Cc4ccc(-c5noc(C)n5)cc4)C(=O)C3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
POLB P06746 2/20 0.45
P2RX3 P56373 3/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TNF P01375 1/20 0.38

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
SCHEMBL8003154 0.91 HCRTR1 (0.47) MAPTPOLBTSHRKDM4ECASP1
SCHEMBL7997760 0.89 MAPT (0.47) MAPTPOLBP2RX3TSHRKDM4E
SCHEMBL7999733 0.88 MAPT (0.44) MAPTPOLBP2RX3KDM4EHSD17B10
SCHEMBL8003134 0.87 MAPT (0.48) MAPTPOLBP2RX3TSHRKDM4E
SCHEMBL7999952 0.87 LMNA (0.43) MAPTKDM4EMEN1KMT2AATM
SCHEMBL7070554 0.86 MAPT (0.52) MAPTPOLBTSHRKDM4ECASP1
SCHEMBL7986948 0.80 GRM5 (0.45) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL7997641 0.79 F10 (0.58) MEN1KMT2AL3MBTL1
SCHEMBL8000061 0.79 HCRTR1 (0.43) MAPTPOLBTSHRKDM4ELMNA
SCHEMBL7996072 0.79 LMNA (0.46) MAPTPOLBKDM4EMEN1KMT2A

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed