SCHEMBL7429331

SCHEMBL7429331

CCC1C(C)=NN=C(c2ccccc2F)c2cc(OC)c(OC)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
PDE4A P27815 2/20 0.65
CHRM1 P11229 1/20 0.65
PDE4D Q08499 1/20 0.65
PDE3A Q14432 1/20 0.65
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.34
KCNN4 O15554 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL5198155 0.89 MEN1 (0.69) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL5425871 0.89 MEN1 (0.69) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL5424934 0.89 MEN1 (0.69) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7441797 0.88 MEN1 (0.67) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7437412 0.86 MEN1 (0.66) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7432689 0.84 MEN1 (0.77) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL5431277 0.82 MEN1 (0.60) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7412414 0.82 MEN1 (0.60) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL5428125 0.82 MEN1 (0.60) MEN1KMT2APDE4ACHRM1PDE4D
SCHEMBL7439341 0.81 MEN1 (0.72) MEN1KMT2APDE4ACHRM1PDE4D

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