SCHEMBL21702522

SCHEMBL21702522

Cc1cc(C(=O)NCc2ccc(-c3noc(C)n3)cc2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PHGDH O43175 1/20 0.49
▸ PLK1 P53350 1/20 0.48
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KIFC1 Q9BW19 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ GALR3 O60755 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL21683294 0.86 L3MBTL1 (0.47) L3MBTL1PHGDHPLK1MAPTPOLB
SCHEMBL21702506 0.83 L3MBTL1 (0.52) L3MBTL1PLK1MAPTPOLBKMT2A
SCHEMBL9195354 0.79 L3MBTL1 (0.64) L3MBTL1PHGDHMAPTPOLBKMT2A
SCHEMBL21683299 0.78 PLK1 (0.58) PLK1MAPTPOLBKMT2AHDAC6
SCHEMBL23780470 0.78 HDAC6 (0.62) PLK1HDAC6HDAC4HDAC1LMNA
SCHEMBL23291895 0.77 PLK1 (0.57) PLK1MAPTPOLBKMT2AHDAC6
SCHEMBL23791596 0.75 PLK1 (0.55) PLK1MAPTPOLBKMT2AHDAC4
SCHEMBL19463739 0.75 HDAC4 (0.59) HDAC6HDAC4HDAC1HDAC8
SCHEMBL23292063 0.74 HDAC1 (0.48) PLK1MAPTPOLBKMT2AHDAC6
SCHEMBL21702468 0.74 HDAC4 (0.46) L3MBTL1PHGDHHDAC6HDAC4HDAC1

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-2020033413-A2 MODULATORS OF RAS GTPASE TOSK, INC. (US) 2020-02-13 — — WO disclosed
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