SCHEMBL11095686

SCHEMBL11095686

CCNC1=NN(c2ccc(Cl)cc2)C(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
PRKCZ Q05513 10/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
BRD4 O60885 1/20 0.35
PDE5A O76074 2/20 0.34
GRM1 Q13255 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL10836755 0.85 ABL1 (0.39) ABL1PRKCZALDH1A1PDE5AMEN1
SCHEMBL11091186 0.83 ABL1 (0.43) ABL1PRKCZALDH1A1LMNABRD4
SCHEMBL11092462 0.83 ABL1 (0.49) ABL1PRKCZALDH1A1LMNABRD4
SCHEMBL11057742 0.79 ABL1 (0.49) ABL1PRKCZALDH1A1LMNABRD4
SCHEMBL11093164 0.78 ABL1 (0.45) ABL1PRKCZBRD4PDE5A
SCHEMBL11061067 0.77 ABL1 (0.74) ABL1PRKCZALDH1A1LMNAPDE5A
SCHEMBL10838522 0.75 ABL1 (0.57) ABL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL907974 0.73 PRKCZ (0.41) ABL1PRKCZBRD4PDE5A
SCHEMBL11061324 0.73 ABL1 (0.55) ABL1PRKCZALDH1A1LMNAPDE5A
Hydrochloric Acid SCHEMBL10656738 0.72 PRKCZ (0.40) ABL1PRKCZBRD4PDE5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448973-A ANTIINFLAMMATORY, ANALGESIC AGENTS; BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-15 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed