SCHEMBL7997760

SCHEMBL7997760

COc1ccc2ccc(S(=O)(=O)N3CCN(Cc4ccc(-c5noc(C)n5)cc4)C(=O)C3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F10 P00742 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.42
PKM P14618 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
P2RX3 P56373 1/20 0.42
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8003134 0.98 MAPT (0.48) MAPTPOLBKDM4ETSHRCASP1
SCHEMBL7996072 0.91 LMNA (0.46) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL7996031 0.89 HCRTR1 (0.47) MAPTPOLBKDM4ETSHRCASP1
SCHEMBL8000061 0.89 HCRTR1 (0.43) MAPTPOLBKDM4ETSHRF10
SCHEMBL7997616 0.89 MAPT (0.45) MAPTPOLBKDM4ETSHRCASP1
SCHEMBL7996075 0.88 F10 (0.48) MAPTPOLBF10LMNAPKM
SCHEMBL7070554 0.87 MAPT (0.52) MAPTPOLBKDM4ETSHRCASP1
SCHEMBL7999821 0.87 F10 (0.48) MAPTF10LMNAPKMALDH1A1
SCHEMBL7996147 0.87 LMNA (0.42) MAPTPOLBKDM4EF10LMNA
SCHEMBL8000074 0.84 LMNA (0.42) MAPTPOLBTSHRF10LMNA

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