SCHEMBL11522502

SCHEMBL11522502

CCCCOc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)c(N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ TSHR P16473 2/20 0.46
▸ CA7 P43166 1/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL11521860 0.95 NPC1 (0.51) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11518670 0.91 NPC1 (0.53) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11520762 0.85 NPC1 (0.50) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11519378 0.84 NPC1 (0.56) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11522923 0.84 NPC1 (0.56) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11518189 0.83 KMT2A (0.64) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11519502 0.83 NPC1 (0.55) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11521258 0.83 NPC1 (0.58) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11520065 0.83 NPC1 (0.52) LMNASMN1; SMN2NPC1CA1CA2
SCHEMBL11388056 0.83 LMNA (0.47) LMNASMN1; SMN2NPC1ALDH1A1MAPT

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-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 — — US disclosed
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