SCHEMBL19140926

SCHEMBL19140926

C=C(Nc1sc2c(c1C(=O)O)CC(C)(C)CC2)c1ccccc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB7A P51149 8/20 0.56
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ FABP4 P15090 2/20 0.42
▸ FABP5 Q01469 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL19141653 0.92 RAB7A (0.47) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19140455 0.90 RAB7A (0.61) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19141650 0.83 RAB7A (0.57) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19141088 0.82 RAB7A (0.48) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19325636 0.81 RAB7A (0.59) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19140980 0.81 RAB7A (0.56) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19321121 0.80 RAB7A (0.60) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19141234 0.80 RAB7A (0.60) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19325952 0.79 RAB7A (0.57) RAB7AMEN1KMT2AKIF11MAPT
SCHEMBL19140392 0.79 RAB7A (0.42) RAB7AMEN1KMT2AKIF11MAPT

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-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 — — EP disclosed
Send feedback