SCHEMBL9755876

SCHEMBL9755876

O=S(=O)(On1nnc2c(I)cc(Cl)cc21)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ENPP1 P22413 1/20 0.32
ENPP2 Q13822 1/20 0.32
PTGS2 P35354 2/20 0.32
ALDH3A1 P30838 1/20 0.32
RECQL P46063 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL417797 0.79 KMT2A (0.48) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL27695892 0.78 TDP1 (0.40) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL9817222 0.73 CYP2C19 (0.59) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL7383122 0.72 KMT2A (0.45) ALDH1A1KDM4EHPGDCYP2C19MEN1
SCHEMBL3724640 0.71 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL11450688 0.69 CYP2C19 (0.40) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL7114768 0.61 SMN1; SMN2 (0.47) ALDH1A1HPGDCYP2C19MEN1KMT2A
SCHEMBL11450733 0.61 KMT2A (0.50) ALDH1A1HPGDCYP2C19TDP1MEN1
SCHEMBL29589309 0.60 NOTUM (0.42) ALDH1A1KDM4EHPGDCYP2C19TDP1
SCHEMBL2803342 0.60 SLC9A1 (0.55) ALDH1A1KDM4EHPGDCYP2C19KMT2A

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-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed