SCHEMBL9058046

SCHEMBL9058046

CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 4/20 0.41
DCUN1D1 Q96GG9 4/20 0.41
AGER Q15109 1/20 0.39
ALDH1A1 P00352 6/20 0.37
USP2 O75604 4/20 0.37
ITK Q08881 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL8808860 0.92 USP2 (0.43) UBE2MDCUN1D1ALDH1A1USP2POLB
SCHEMBL8809049 0.92 TP53 (0.42) AGERALDH1A1USP2SLC6A9POLB
SCHEMBL9056629 0.92 KMT2A (0.38) UBE2MDCUN1D1ALDH1A1USP2POLB
SCHEMBL8807728 0.92 TP53 (0.42) AGERALDH1A1USP2SLC6A9POLB
SCHEMBL29972806 0.92 TP53 (0.42) AGERALDH1A1USP2SLC6A9POLB
SCHEMBL8808573 0.86 LPAR1 (0.41) AGERALDH1A1USP2MEN1KMT2A
SCHEMBL8808548 0.86 TP53 (0.41) UBE2MDCUN1D1AGERALDH1A1SLC6A9
SCHEMBL8808662 0.86 KMT2A (0.38) UBE2MDCUN1D1ALDH1A1USP2POLB
SCHEMBL9059535 0.86 TP53 (0.41) UBE2MDCUN1D1AGERALDH1A1SLC6A9
SCHEMBL8856425 0.85 GCGR (0.37) UBE2MDCUN1D1ALDH1A1USP2NPSR1

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed