SCHEMBL8813752

SCHEMBL8813752

COc1cc(C(=O)N(C)c2ccc(Cl)cc2O)ccc1NC(=O)c1cc(C)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.49
KDM4E B2RXH2 2/20 0.46
HIF1A Q16665 1/20 0.46
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
F10 P00742 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
ACLY P53396 1/20 0.41
PYGL P06737 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7371628 0.91 KCNMA1 (0.48) KCNMA1KDM4EHIF1AF10SMN1; SMN2
SCHEMBL8812136 0.90 SMN1; SMN2 (0.46) KCNMA1KDM4ETP53GAAF10
SCHEMBL7372454 0.89 KCNMA1 (0.48) KCNMA1KDM4ETP53GAASMN1; SMN2
SCHEMBL8816300 0.88 BRD4 (0.45) KCNMA1KDM4ETP53GAAF10
SCHEMBL8814391 0.85 POLB (0.46) KCNMA1KDM4EHIF1ATP53GAA
SCHEMBL7512858 0.85 ALDH1A1 (0.50) KCNMA1TP53GAASMN1; SMN2MAPT
SCHEMBL8814423 0.84 TP53 (0.45) KDM4ETP53GAASMN1; SMN2MAPT
SCHEMBL8812490 0.81 TP53 (0.41) TP53GAASMN1; SMN2MAPTALDH1A1
SCHEMBL7748399 0.81 ALDH1A1 (0.51) KCNMA1TP53GAASMN1; SMN2MAPT
SCHEMBL7375499 0.80 MTTP (0.47) KDM4EF10SMN1; SMN2MAPTALDH1A1

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed