SCHEMBL19140980

SCHEMBL19140980

Cc1cccc(CN)c1C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB7A P51149 2/20 0.56
▸ KIF11 P52732 1/20 0.49
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ NPC1 O15118 7/20 0.46
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 3/20 0.46
▸ RAB9A P51151 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ FABP4 P15090 3/20 0.44
▸ FABP5 Q01469 3/20 0.44
▸ HTT P42858 1/20 0.42

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
SCHEMBL19326206 0.91 RAB7A (0.55) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19321379 0.90 RAB7A (0.55) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19326303 0.89 RAB7A (0.53) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19321407 0.89 RAB7A (0.55) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19140455 0.86 RAB7A (0.61) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19140838 0.82 RAB7A (0.53) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19141650 0.82 RAB7A (0.57) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19140926 0.81 RAB7A (0.56) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19325820 0.80 RAB7A (0.54) RAB7AKIF11MEN1KMT2ANPC1
SCHEMBL19141324 0.79 RAB7A (0.55) RAB7AKIF11MEN1KMT2ANPC1

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
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