SCHEMBL11059709

SCHEMBL11059709

O=C(NC1=NN(c2ccc(F)cc2)C(c2ccccc2)C1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 5/20 0.48
ATM Q13315 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GLA P06280 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PDE5A O76074 3/20 0.46
HSP90AA1 P07900 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL11057356 0.92 GAA (0.55) NR3C2MEN1KMT2AGAAATM
SCHEMBL11063665 0.89 MEN1 (0.49) MEN1KMT2AGAAATMALDH1A1
SCHEMBL11060638 0.88 PDE5A (0.50) NR3C2MEN1KMT2AGAAATM
SCHEMBL11058884 0.82 PDE5A (0.51) MEN1KMT2AATMALDH1A1PDE5A
SCHEMBL11061030 0.82 ABL1 (0.50) NR3C2MEN1KMT2AGAAPDE5A
SCHEMBL11064878 0.79 MEN1 (0.54) NR3C2MEN1KMT2AGAAATM
SCHEMBL11068634 0.77 ABL1 (0.47) MEN1KMT2AGAAATMKDM4E
SCHEMBL11063991 0.77 PDE5A (0.52) NR3C2MEN1KMT2AGAAALDH1A1
SCHEMBL11057626 0.73 MEN1 (0.55) NR3C2MEN1KMT2AATMPDE5A
SCHEMBL11057349 0.72 MEN1 (0.54) MEN1KMT2AATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US claimed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US claimed
US-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed