SCHEMBL7999952

SCHEMBL7999952

Cc1nc(-c2ccc(CN3C(=O)CN(S(=O)(=O)c4ccc5ccccc5c4)CC3=O)cc2)no1.O=S(=O)(Cl)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 6/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 2/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 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
SCHEMBL7999733 0.88 MAPT (0.44) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL7997616 0.87 MAPT (0.45) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL7996072 0.85 LMNA (0.46) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL7986948 0.82 GRM5 (0.45) LMNAMAPTTP53MEN1KMT2A
SCHEMBL7074071 0.82 KDM4E (0.56) LMNAKDM4ESMN1; SMN2MAPTPKM
SCHEMBL8003154 0.80 HCRTR1 (0.47) LMNAKDM4ECA2CA9MAPT
SCHEMBL7996147 0.79 LMNA (0.42) LMNAKDM4ESMN1; SMN2MAPTTP53
SCHEMBL7996075 0.77 F10 (0.48) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL7997760 0.76 MAPT (0.47) LMNAKDM4ESMN1; SMN2MAPTTP53
SCHEMBL8003134 0.76 MAPT (0.48) LMNAKDM4ESMN1; SMN2MAPTTP53

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