SCHEMBL7440528

SCHEMBL7440528

CCC1C(C)=NN=C(c2ccc(O)c(O)c2)c2cc(OC)c(O)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CHRM1 P11229 1/20 0.69
PDE4A P27815 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69
GAA P10253 4/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HSP90AA1 P07900 2/20 0.38
RAC1 P63000 2/20 0.37
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AKR1B1 P15121 1/20 0.34
ALOX5 P09917 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CALM1 P0DP23 1/20 0.33

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
SCHEMBL5497371 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL6684344 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3245395 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5494252 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL6858437 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3234167 0.94 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4593681 0.93 MEN1 (0.73) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7432334 0.92 MEN1 (0.70) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5426502 0.91 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4307435 0.91 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548370-A1 DRUG FOR PREVENTING AND/OR TREATING ALLERGIC DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed