SCHEMBL5760076

SCHEMBL5760076

O=C(N[C@@H](CO)C(=O)O)c1ccc2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PIN1 Q13526 2/20 0.44
RXFP1 Q9HBX9 4/20 0.43
CA2 P00918 3/20 0.43
MAPT P10636 3/20 0.43
CA1 P00915 2/20 0.43
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 3/20 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
SCHEMBL5760072 1.00 LMNA (0.49) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5755065 0.89 TAS1R3 (0.44) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5755063 0.89 TAS1R3 (0.44) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5759135 0.81 KDM4E (0.69) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5757247 0.80 NPC1 (0.65) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5755017 0.73 NPC1 (0.47) SMN1; SMN2KDM4EHDAC6MAPTRAB9A
SCHEMBL5759668 0.73 KDM4E (0.51) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL2789030 0.72 PIK3CA (0.55) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5752924 0.71 APP (0.54) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL5756224 0.70 HPGD (0.55) LMNASMN1; SMN2KDM4ENFKB1NFKB2

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
EP-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP claimed