SCHEMBL7997639

SCHEMBL7997639

Cc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3=O)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
PKM P14618 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
P2RX3 P56373 1/20 0.41
F10 P00742 2/20 0.40
HSD17B10 Q99714 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
SCHEMBL7996149 0.92 HCRTR1 (0.46) L3MBTL1LMNATP53MAPTPKM
SCHEMBL7986759 0.91 MAPT (0.42) L3MBTL1LMNATP53MAPTSMN1; SMN2
SCHEMBL7996072 0.91 LMNA (0.46) CA12CA1CA2CA9LMNA
SCHEMBL7996075 0.86 F10 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL7069980 0.86 TSHR (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL7999726 0.86 FNTA (0.43) LMNATP53MAPTSMN1; SMN2TSHR
SCHEMBL7996216 0.85 LMNA (0.46) CA12CA1CA2CA9LMNA
SCHEMBL8003134 0.85 MAPT (0.48) L3MBTL1LMNATP53MAPTSMN1; SMN2
SCHEMBL7996147 0.85 LMNA (0.42) LMNATP53MAPTSMN1; SMN2PKM
SCHEMBL7997760 0.83 MAPT (0.47) L3MBTL1LMNATP53MAPTSMN1; SMN2

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