SCHEMBL11057742

SCHEMBL11057742

CC1CC(NC=O)=NN1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.49
PRKCZ Q05513 9/20 0.39
PDE5A O76074 2/20 0.39
PTGS2 P35354 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
BRD4 O60885 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL11054632 0.85 PRKCZ (0.52) PRKCZPDE5APTGS2MEN1KMT2A
SCHEMBL11092462 0.83 ABL1 (0.49) ABL1PRKCZPDE5APTGS2ALDH1A1
SCHEMBL11061548 0.81 CA1 (0.53) PRKCZPDE5ACNR1ALDH1A1LMNA
SCHEMBL11061067 0.80 ABL1 (0.74) ABL1PRKCZPDE5AALDH1A1LMNA
SCHEMBL11095686 0.79 ABL1 (0.46) ABL1PRKCZPDE5AALDH1A1LMNA
SCHEMBL11057272 0.78 MEN1 (0.53) PRKCZPDE5ACNR1ALDH1A1LMNA
SCHEMBL11093164 0.78 ABL1 (0.45) ABL1PRKCZPDE5ACNR1BRD4
SCHEMBL11061324 0.76 ABL1 (0.55) ABL1PRKCZPDE5AALDH1A1LMNA
SCHEMBL11091186 0.75 ABL1 (0.43) ABL1PRKCZPDE5ACNR1ALDH1A1
SCHEMBL907974 0.73 PRKCZ (0.41) ABL1PRKCZPDE5APTGS2BRD4

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-4448973-A ANTIINFLAMMATORY, ANALGESIC AGENTS; BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-15 US disclosed
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