SCHEMBL23052431

SCHEMBL23052431

CCC(C)(C)c1ccc(S(=O)(=O)NC2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ LMNA P02545 6/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GLA P06280 1/20 0.49

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
SCHEMBL23045659 0.99 SMN1; SMN2 (0.63) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12169367 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12169393 0.83 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12169400 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23052524 0.79 KMT2A (0.58) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL12189228 0.78 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL9906394 0.78 KMT2A (0.66) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12572276 0.77 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12188930 0.77 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL12315297 0.77 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4

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-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
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