SCHEMBL11681964

SCHEMBL11681964

CCOc1cccc(N(CC)Cc2cccc(S(=O)(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ S1PR1 P21453 5/20 0.41
▸ SNCA P37840 2/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ CA1 P00915 1/20 0.38

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
SCHEMBL10894436 0.89 ESR1 (0.49) CETPMEN1THRBKMT2AAPEX1
SCHEMBL11680597 0.85 MEN1 (0.41) CETPMEN1THRBKMT2AAPEX1
SCHEMBL735955 0.83 TSHR (0.58) MEN1THRBKMT2AAPEX1RECQL
SCHEMBL29429236 0.83 CNR2 (0.50) CETPMEN1THRBKMT2AAPEX1
SCHEMBL11685704 0.83 S1PR1 (0.50) CETPMEN1THRBKMT2AAPEX1
SCHEMBL8517200 0.83 CNR2 (0.50) CETPMEN1THRBKMT2AAPEX1
SCHEMBL11657111 0.82 S1PR1 (0.41) CETPMEN1THRBKMT2AAPEX1
SCHEMBL11682389 0.81 KMT2A (0.47) MEN1THRBKMT2AAPEX1RECQL
SCHEMBL5351677 0.81 MEN1 (0.58) MEN1THRBKMT2AAPEX1RECQL
SCHEMBL7888440 0.81 TSHR (0.58) MEN1THRBKMT2AAPEX1RECQL

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-4041024-A FOR POLYAMIDES AND POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 — — US disclosed
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