SCHEMBL3467293

SCHEMBL3467293

O=C1CCCCCC1N=NC1CCCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 3/20 0.46
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MCL1 Q07820 1/20 0.34
CA6 P23280 2/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
TLR4 O00206 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL11154756 0.97 CA1 (0.48) KMT2ACA1CA2CA4TRIM24
SCHEMBL8522333 0.81 KMT2A (0.46) KMT2ACA1CA2CA4TRIM24
SCHEMBL8776291 0.81 KMT2A (0.46) KMT2ACA1CA2CA4TRIM24
SCHEMBL10760687 0.81 KMT2A (0.46) KMT2ACA1CA2CA4TRIM24
SCHEMBL2632690 0.80
SCHEMBL28708985 0.78
SCHEMBL27709486 0.75 ALDH1A1 (0.43) KMT2ACA1CA2CA4ALDH1A1
SCHEMBL14537424 0.73 CA1 (0.40) KMT2ACA1CA2CA4MCL1
SCHEMBL6769544 0.70 KMT2A (0.56) KMT2ACA1CA2CA4TRIM24
SCHEMBL6764761 0.70 KMT2A (0.56) KMT2ACA1CA2CA4TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018228700-A1 FINASTERIDE FOR USE IN THE TREATMENT OF ANDROGENETIC ALOPECIA MERZ PHARMA GMBH & CO. KGAA (DE) 2018-12-20 WO disclosed
WO-2018206077-A1 EMULSION COMPRISING FINASTERIDE MERZ PHARMA GMBH & CO. KGAA (DE) 2018-11-15 WO disclosed
WO-2010069519-A1 TOPICAL COMPOSITIONS COMPRISING AT LEAST ONE ACTIVE INGREDIENT POORLY SOLUBLE IN WATER AND BIOPOLYMERS SUCH AS HYALURONIC ACID WITH A PKA-VALUE BETWEEN 5-7 MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-24 WO disclosed