SCHEMBL29956476

SCHEMBL29956476

O=Cc1cnc2c(c1)cc(I)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
RECQL P46063 1/20 0.36
CXCL8 P10145 1/20 0.35
NOD1 Q9Y239 1/20 0.35
CYP2C19 P33261 1/20 0.35
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34

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
SCHEMBL15907696 0.82 SLC40A1 (0.45) RECQLCXCL8NOD1CYP2C19SRC
SCHEMBL1772184 0.82 NOD1 (0.43) RECQLCXCL8NOD1CYP2C19SRC
SCHEMBL18918873 0.82 ENPP3 (0.46) RECQLCXCL8NOD1CYP2C19SRC
Hydrochloric Acid SCHEMBL15902396 0.81 NOD1 (0.42) RECQLCXCL8NOD1CYP2C19SRC
SCHEMBL29953394 0.80 NOD1 (0.38) PTGER4RECQLCXCL8NOD1SRC
SCHEMBL18918774 0.79 RECQL (0.34) RECQLCXCL8NOD1CYP2C19BRD4
SCHEMBL22494274 0.79 HTR6 (0.44) CXCL8NOD1ALDH1A1MAPTHDAC3
SCHEMBL1773798 0.78 ALDH1A1 (0.45) NOD1ALDH1A1LMNAPTGDR2GAA
SCHEMBL1773438 0.77 CYP2C19 (0.55) RECQLCXCL8NOD1CYP2C19SRC
SCHEMBL15824091 0.77 CNR2 (0.41) RECQLNOD1SRCALDH1A1LMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed