SCHEMBL11061548

SCHEMBL11061548

O=CNC1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PRKCZ Q05513 6/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CNR1 P21554 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.47
CNR2 P34972 1/20 0.47
PDE5A O76074 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 0.94 MEN1 (0.53) CA1CA2PRKCZMEN1KMT2A
SCHEMBL11054632 0.93 PRKCZ (0.52) CA1CA2PRKCZMEN1KMT2A
SCHEMBL11064855 0.90 MEN1 (0.54) CA1CA2PRKCZMEN1KMT2A
SCHEMBL11064878 0.86 MEN1 (0.54) CA1CA2PRKCZMEN1KMT2A
SCHEMBL11057742 0.81 ABL1 (0.49) CA1CA2PRKCZMEN1KMT2A
SCHEMBL11058366 0.81 PRKCZ (0.48) PRKCZMEN1KMT2AATMPDE5A
SCHEMBL11063665 0.78 MEN1 (0.49) CA1CA2PRKCZMEN1KMT2A
SCHEMBL908494 0.78 CA1 (0.56) CA1CA2PRKCZMEN1KMT2A
SCHEMBL1023193 0.77 CNR1 (0.58) CA1CA2PRKCZMEN1KMT2A
Hydrochloric Acid SCHEMBL1039418 0.76 CNR1 (0.57) CA1CA2PRKCZMEN1KMT2A

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