SCHEMBL19506202

SCHEMBL19506202

CC1CC=CN1C(=O)c1ccccc1OSF

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSD11B1 P28845 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ HCRTR1 O43613 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL19506099 0.85 HTT (0.51) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19505793 0.84 TSHR (0.38) KMT2ATSHRMEN1HSD11B1LMNA
SCHEMBL19505798 0.80 KMT2A (0.37) KMT2ATSHRMEN1HSD11B1LMNA
SCHEMBL19506182 0.80 KMT2A (0.36) KMT2ATSHRMEN1HSD11B1LMNA
SCHEMBL19506091 0.73 ITGB1 (0.39) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19506177 0.71 TSHR (0.38) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19475152 0.69 HTT (0.49) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19505786 0.68 HTT (0.48) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19505783 0.68 HTT (0.48) KMT2ATSHRHSD11B1LMNAHTT
SCHEMBL19506117 0.68 SMN1; SMN2 (0.45) TSHRLMNAHTTGAAHCRTR2

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-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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