SCHEMBL14136251

SCHEMBL14136251

C=C(N)/C=C\C(=C/C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL14021800 0.80 ALDH1A1 (0.32)
SCHEMBL18837401 0.76 ALDH1A1 (0.39)
SCHEMBL20065598 0.75 TDP1 (0.41) TDP1LMNAALOX15BLMPMP22
SCHEMBL16615842 0.74
SCHEMBL18993580 0.73
SCHEMBL22528342 0.71 TDP1 (0.43) TDP1LMNAALOX15BLMPMP22
SCHEMBL17733564 0.71 TDP1 (0.40) TDP1
SCHEMBL13450488 0.71
SCHEMBL17993968 0.70 TSHR (0.30)
SCHEMBL19661047 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 WO disclosed