SCHEMBL7441633

SCHEMBL7441633

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
CHRM1 P11229 1/20 0.74
PDE4A P27815 1/20 0.74
PDE4D Q08499 1/20 0.74
PDE3A Q14432 1/20 0.74
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36

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
SCHEMBL4586009 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5494252 0.95 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3247339 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL6858437 0.95 MEN1 (0.74) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4585220 0.95 MEN1 (0.82) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3242127 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3242116 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL3236700 0.94 MEN1 (0.84) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4593681 0.92 MEN1 (0.73) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL4586153 0.91 PDE4A (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed