SCHEMBL11061324

SCHEMBL11061324

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
GAA P10253 2/20 0.41
PDE5A O76074 3/20 0.40
PRKCZ Q05513 5/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11061030 0.89 ABL1 (0.50) ABL1GAAPDE5APRKCZKMT2A
SCHEMBL11054662 0.87 ABL1 (0.74) ABL1GAAPDE5A
SCHEMBL11060498 0.86 ABL1 (0.48) ABL1GAAPDE5AHDAC6
SCHEMBL11058884 0.86 PDE5A (0.51) PDE5APRKCZKMT2AMEN1ATM
SCHEMBL11068634 0.85 ABL1 (0.47) ABL1GAAPDE5AKMT2AMAPT
SCHEMBL11061067 0.84 ABL1 (0.74) ABL1PDE5APRKCZKMT2AMAPT
SCHEMBL11063665 0.83 MEN1 (0.49) GAAPDE5APRKCZKMT2AMEN1
SCHEMBL11093164 0.80 ABL1 (0.45) ABL1PDE5APRKCZ
SCHEMBL11091186 0.77 ABL1 (0.43) ABL1PDE5APRKCZFFAR1ALDH1A1
SCHEMBL11092462 0.77 ABL1 (0.49) ABL1PDE5APRKCZKMT2AMAPT

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 6 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-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