SCHEMBL7330529

SCHEMBL7330529

COc1ccccc1NC(=O)C1CCc2c(ncn2OC(=O)/C=C/C(=O)On2cnc3c2CCC(C(=O)Nc2ccccc2OC)C3)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7331892 0.91 TSHR (0.49) KDM4ESMN1; SMN2LMNAKMT2ATSHR
SCHEMBL7325586 0.89 GAA (0.53) KDM4ESMN1; SMN2LMNAKMT2ATSHR
SCHEMBL7335424 0.88 KMT2A (0.42) KDM4ESMN1; SMN2LMNAKMT2AALOX15
SCHEMBL7324003 0.88 KDM4E (0.50) KDM4ESMN1; SMN2LMNAKMT2ATSHR
SCHEMBL7332002 0.87 ALDH1A1 (0.47) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL7334780 0.87 MEN1 (0.40) SMN1; SMN2LMNAKMT2ATSHRALDH1A1
SCHEMBL7334149 0.84 PTGDR2 (0.44) SMN1; SMN2KMT2AALDH1A1MEN1GAA
SCHEMBL7333021 0.81 GPBAR1 (0.34) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
Fumaric Acid SCHEMBL7354752 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ACHEBACE1LMNA
Fumaric Acid SCHEMBL7354754 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ACHEBACE1LMNA

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-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed