SCHEMBL9044355

SCHEMBL9044355

CCCCCCCCCCCCc1nnn(C(C(=O)Nc2ccc(F)cc2F)c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.46
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.42
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL7505177 0.80 CYP19A1 (0.44)
SCHEMBL7505550 0.80 CYP19A1 (0.44)
SCHEMBL6936822 0.78
SCHEMBL6940752 0.77
SCHEMBL7507744 0.77 ACHE (0.45) RAB9APKMPOLB
SCHEMBL7507772 0.76 CYP19A1 (0.41)
SCHEMBL9048785 0.76 CYP19A1 (0.41)
SCHEMBL6942238 0.75
SCHEMBL7133212 0.73 SLC6A2 (0.46) ULK1
SCHEMBL7501171 0.73 ULK1 (0.46) ULK1RAB9APKM

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
EP-0600950-B1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER LAMBERT CO (US) 1996-10-23 EP claimed