SCHEMBL11058366

SCHEMBL11058366

O=CNC1=NN(c2cccc(F)c2)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 14/20 0.48
PDE5A O76074 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41

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
SCHEMBL11057272 0.86 MEN1 (0.53) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11054632 0.85 PRKCZ (0.52) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11057378 0.84 MEN1 (0.56) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11061548 0.81 CA1 (0.53) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11068397 0.80 PRKCZ (0.52) PRKCZPDE5AEGFRERBB2
SCHEMBL11064855 0.76 MEN1 (0.54) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11064878 0.76 MEN1 (0.54) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11057742 0.71 ABL1 (0.49) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL11057626 0.70 MEN1 (0.55) PRKCZPDE5AMEN1KMT2AATM
SCHEMBL10690743 0.68 TSHR (0.51) MEN1KMT2ABCHEACHEMGAM

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 4 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-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