SCHEMBL7986759

SCHEMBL7986759

Cc1nc(-c2ccc3ccc(CN4CCN(S(=O)(=O)c5ccc(-c6ccccc6)cc5)CC4=O)cc3c2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 5/20 0.42
TP53 P04637 1/20 0.42
F10 P00742 3/20 0.41
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD4 P01730 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
SCHEMBL7996147 0.94 LMNA (0.42) MAPTLMNATP53F10THRB
SCHEMBL7996149 0.92 HCRTR1 (0.46) MAPTLMNATP53THRBL3MBTL1
SCHEMBL7997639 0.91 L3MBTL1 (0.45) MAPTLMNATP53F10L3MBTL1
SCHEMBL7986652 0.91 CD4 (0.41) MAPTLMNATP53F10THRB
SCHEMBL7999821 0.89 F10 (0.48) MAPTLMNATP53F10GRM5
SCHEMBL7996072 0.88 LMNA (0.46) MAPTLMNATP53F10POLB
SCHEMBL7999778 0.86 SLC2A1 (0.43) MAPTLMNAL3MBTL1HCRTR1HCRTR2
SCHEMBL8000009 0.84 LMNA (0.44) MAPTLMNATP53F10L3MBTL1
SCHEMBL7996075 0.83 F10 (0.48) MAPTLMNATP53F10POLB
SCHEMBL7999738 0.83 F10 (0.47) MAPTLMNATP53F10HCRTR1

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