SCHEMBL17657286

SCHEMBL17657286

C=Cc1cccc2oc(C(C)N3C(=O)c4ccccc4C3=O)c(-c3ccccc3)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17718419 0.83 LMNA (0.36) LMNAUSP2TDP1BCL2MCL1
SCHEMBL17657308 0.82 MEN1 (0.34) LMNAUSP2BCL2MCL1MEN1
SCHEMBL13718825 0.75 PIK3CD (0.42) —
SCHEMBL17657299 0.72 MAPT (0.36) LMNAUSP2BCL2MCL1MEN1
SCHEMBL17718413 0.70 CA1 (0.48) KMT2APOLBALDH1A1
SCHEMBL13717611 0.70 AR (0.38) LMNAUSP2TDP1MEN1KMT2A
SCHEMBL20878586 0.67 THRB (0.38) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL13826314 0.66 KDM4E (0.41) LMNAUSP2TDP1BCL2MCL1
SCHEMBL13825904 0.66 KDM4E (0.41) LMNAUSP2TDP1BCL2MCL1
SCHEMBL13718190 0.66 KDM4E (0.41) LMNAUSP2TDP1BCL2MCL1

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-2016054491-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2016-04-07 — — WO disclosed
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