SCHEMBL7999733

SCHEMBL7999733

Cc1nc(-c2ccc(CN3C(=O)CN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3=O)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 7/20 0.40
GRM5 P41594 4/20 0.39
TP53 P04637 1/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
P2RX3 P56373 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 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
SCHEMBL7986948 0.92 GRM5 (0.45) MAPTLMNAGRM5TP53MEN1
SCHEMBL7996075 0.88 F10 (0.48) MAPTCA12CA1CA2CA9
SCHEMBL7999952 0.88 LMNA (0.43) MAPTCA12CA1CA2CA9
SCHEMBL7997616 0.88 MAPT (0.45) MAPTCA12CA1CA2CA9
SCHEMBL7076926 0.85 LSS (0.52) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL7999821 0.84 F10 (0.48) MAPTLMNAGRM5TP53ALDH1A1
SCHEMBL7999738 0.81 F10 (0.47) MAPTLMNAGRM5TP53POLB
SCHEMBL8003154 0.80 HCRTR1 (0.47) MAPTCA2CA9LMNATP53
SCHEMBL7996072 0.80 LMNA (0.46) MAPTCA12CA1CA2CA9
SCHEMBL8000092 0.79 MAPT (0.42) MAPTCA12CA1CA2CA9

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