SCHEMBL16357074

SCHEMBL16357074

CC(NC(=O)n1nnc2ccccc21)C(C)c1nc(CO)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.43
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ F12 P00748 3/20 0.39
▸ MGAM O43451 6/20 0.38
▸ AMY1A P0DUB6 6/20 0.38
▸ GAA P10253 6/20 0.38
▸ SI P14410 6/20 0.38
▸ MGAM2 Q2M2H8 6/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 2/20 0.36

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
SCHEMBL14470767 0.86 ASAH1 (0.41) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL16357075 0.86 CYP1A2 (0.39) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL8210801 0.75 ASAH1 (0.49) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL22101596 0.73 ASAH1 (0.56) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL14470765 0.73 CYP1A2 (0.38) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL14470768 0.71 ASAH1 (0.40) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL20928041 0.70 ASAH1 (0.53) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL14470772 0.70 ASAH1 (0.41) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL22649182 0.69 ASAH1 (0.51) ASAH1KMT2AMAPTTSHRHSD17B10
SCHEMBL12648519 0.69 FAAH (0.53) ASAH1KMT2AMAPTFAAHMGAM

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
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