SCHEMBL8693173

SCHEMBL8693173

O=S(=O)(Cc1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.49
PSIP1 O75475 1/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 2/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7638364 0.83 AKR1B1 (0.45) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5871962 0.83 AKR1B1 (0.45) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14601731 0.83 ALDH1A1 (0.48) AKR1B1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5598431 0.80 AKR1B1 (0.43) AKR1B1PSIP1MAPTSMN1; SMN2POLB
SCHEMBL24625403 0.77 PSIP1 (0.54) PSIP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8698751 0.76 AKR1B1 (0.47) AKR1B1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL14601735 0.75 KDM4E (0.55) AKR1B1MAPTALDH1A1GAANPSR1
SCHEMBL14458213 0.75 ALDH1A1 (0.44) AKR1B1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL14601732 0.74 KMT2A (0.47) AKR1B1MAPTALDH1A1POLBKMT2A
SCHEMBL2906762 0.74 AKR1B1 (0.50) AKR1B1MAPTSMN1; SMN2ALDH1A1KMT2A

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-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed