SCHEMBL11656748

SCHEMBL11656748

CCOc1c(C)cc(N(CC)CC)cc1N(CC)Cc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ S1PR1 P21453 5/20 0.42
▸ CNR2 P34972 8/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ SNCA P37840 2/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL11682723 0.80 CNR2 (0.42) THRBMEN1APEX1RECQLBLM
SCHEMBL11681964 0.77 CETP (0.48) THRBMEN1APEX1RECQLBLM
SCHEMBL11680597 0.77 MEN1 (0.41) THRBMEN1APEX1RECQLBLM
SCHEMBL29231144 0.76 CNR2 (0.55) THRBMEN1APEX1RECQLBLM
SCHEMBL28370640 0.75 S100B (0.54) THRBMEN1APEX1RECQLBLM
SCHEMBL735955 0.75 TSHR (0.58) THRBMEN1APEX1RECQLBLM
SCHEMBL5351677 0.75 MEN1 (0.58) THRBMEN1APEX1RECQLBLM
SCHEMBL19428162 0.74 THRB (0.49) THRBMEN1APEX1RECQLBLM
SCHEMBL11685293 0.74 KMT2A (0.44) THRBMEN1APEX1RECQLBLM
SCHEMBL11402796 0.74 THRB (0.46) THRBMEN1APEX1RECQLBLM

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
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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