SCHEMBL7934176

SCHEMBL7934176

Cc1nc2c(-c3cccc(Cl)c3)cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cn2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 8/20 0.50
CA9 Q16790 5/20 0.50
CA12 O43570 4/20 0.50
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7929315 0.83 SMN1; SMN2 (0.46) MEN1KMT2A
SCHEMBL7930891 0.83 POLB (0.50) MAPTTP53MEN1LMNAKMT2A
SCHEMBL7932092 0.81 KCNQ3 (0.45)
SCHEMBL7934021 0.78 NPC1 (0.49) MAPTALDH1A1
SCHEMBL7928076 0.78 GCK (0.60) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL7934179 0.75 DYRK3 (0.50) ALDH1A1KDM4ETP53MEN1KMT2A
SCHEMBL7931544 0.71 CNR2 (0.50) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL14372362 0.69 CA1 (0.77) CA2CA1CA9CA12CA4
SCHEMBL14372360 0.68 CA1 (0.63) CA2CA1CA9CA12MAPT
SCHEMBL7930354 0.67 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4EMEN1LMNA

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed