SCHEMBL18456568

SCHEMBL18456568

COc1cc(NC(=O)C(=N)SC(C)OC)ccc1OCC(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ BTK Q06187 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL18456585 0.82 TP53 (0.68) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL20462812 0.81 TP53 (0.72) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18456587 0.79 TP53 (0.69) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18456581 0.72 LMNA (0.66) TP53MAPTALDH1A1KMT2AMEN1
SCHEMBL1294980 0.72 ALDH1A1 (0.71) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL20462652 0.70 LMNA (0.69) TP53MAPTALDH1A1KMT2AMEN1
SCHEMBL18456663 0.70 LMNA (0.61) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL31428602 0.70 ALDH1A1 (1.00) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5692309 0.70 ALDH1A1 (1.00) TP53MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18456601 0.69 LMNA (0.72) TP53MAPTALDH1A1KMT2AMEN1

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-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — WO disclosed
Send feedback