SCHEMBL11057356

SCHEMBL11057356

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
ATM Q13315 5/20 0.50
PDE5A O76074 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HSP90AA1 P07900 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NR3C2 P08235 1/20 0.44
PRKCZ Q05513 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RIPK1 Q13546 1/20 0.40
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL11059709 0.92 NR3C2 (0.49) GAAMEN1KMT2AATMPDE5A
SCHEMBL11063665 0.91 MEN1 (0.49) GAAMEN1KMT2AATMPDE5A
SCHEMBL11060638 0.90 PDE5A (0.50) GAAMEN1KMT2AATMPDE5A
SCHEMBL11058884 0.84 PDE5A (0.51) MEN1KMT2AATMPDE5APRKCZ
SCHEMBL11068634 0.79 ABL1 (0.47) GAAMEN1KMT2AATMPDE5A
SCHEMBL11063991 0.78 PDE5A (0.52) GAAMEN1KMT2APDE5AL3MBTL1
SCHEMBL11057349 0.78 MEN1 (0.54) MEN1KMT2AATMPDE5AL3MBTL1
SCHEMBL11064855 0.75 MEN1 (0.54) GAAMEN1KMT2AATMPDE5A
SCHEMBL11061030 0.74 ABL1 (0.50) GAAMEN1KMT2APDE5AL3MBTL1
SCHEMBL11061324 0.73 ABL1 (0.55) GAAMEN1KMT2AATMPDE5A

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