SCHEMBL11680597

SCHEMBL11680597

CCOc1ccc(OCC)c(N(CC)Cc2cccc(S(=O)(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CETP P11597 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SNCA P37840 2/20 0.37
▸ P2RX7 Q99572 2/20 0.37

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 0.90 CNR2 (0.42) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL11684276 0.85 MAPT (0.43) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL11681964 0.85 CETP (0.48) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL11683690 0.83 TDP1 (0.46) THRBTDP1MAPTLMNACNR2
SCHEMBL11684138 0.81 TSHR (0.50) MAPTCNR2L3MBTL1CETPTSHR
SCHEMBL11685293 0.80 KMT2A (0.44) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL11681774 0.78 SMN1; SMN2 (0.40) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL11656748 0.77 THRB (0.44) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL19428161 0.77 THRB (0.43) MEN1KMT2ATHRBAPEX1RECQL
SCHEMBL11680442 0.76 LTA4H (0.43) MAPTLMNANPSR1CNR2TP53

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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