SCHEMBL17044291

SCHEMBL17044291

O=C(O)Oc1c(-c2cccc(C(=O)N3CCCCC3)c2)c2ccccc2n1CCCOc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CNR2 P34972 15/20 0.51
▸ MCL1 Q07820 1/20 0.48
▸ CDC7 O00311 1/20 0.47
▸ EEF2K O00418 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ MARK3 P27448 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ AKT2 P31751 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ MAPKAPK2 P49137 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
SCHEMBL2206133 0.88 CDC7 (0.59) LMNAMAPTNPC1POLBHPGD
SCHEMBL17044301 0.85 MARK3 (0.58) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044287 0.83 MARK3 (0.57) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044236 0.83 MCL1 (0.54) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044279 0.81 MARK3 (0.48) HPGDMCL1CDC7EEF2KDAPK3
SCHEMBL17044325 0.80 MCL1 (0.56) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044378 0.80 MARK3 (0.58) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044226 0.80 MARK3 (0.58) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044335 0.80 CDC7 (0.45) LMNAMAPTSMN1; SMN2CNR2MCL1
SCHEMBL17044216 0.80 MARK3 (0.60) MCL1CDC7EEF2KDAPK3MAP4K4

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-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 — — EP claimed
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