SCHEMBL17382837

SCHEMBL17382837

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ AHR P35869 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAOB P27338 1/20 0.34
▸ SLC47A1 Q96FL8 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL29543109 0.91 UTRN (0.38) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL27141980 0.91 UTRN (0.38) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL29543107 0.89 UTRN (0.36) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL17382621 0.88 UTRN (0.36) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL17382623 0.85 UTRN (0.35) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL17383124 0.85 CYP1A2 (0.32) UTRNCYP1A2AHRHDAC6
SCHEMBL17383393 0.84 CYP1A2 (0.38) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL25868891 0.83 UTRN (0.38) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23931448 0.81 UTRN (0.45) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30260101 0.81 UTRN (0.45) UTRNCYP1A2AHRHDAC6LMNA

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-2015198859-A1 CONDENSED HETEROCYCLIC COMPOUND 住友化学株式会社 2015-12-30 — — WO disclosed
Send feedback