SCHEMBL4017731

SCHEMBL4017731

O=S(=O)(CCCO)c1ccc(Br)s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.65
POLB P06746 5/20 0.49
GRK2 P25098 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 1/20 0.49
THRB P10828 3/20 0.48
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
LOX P28300 1/20 0.46

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
SCHEMBL10372094 0.79 CA2 (1.00) CA2LOX
SCHEMBL4012060 0.78 CYP3A4 (0.55) POLBGRK2SMN1; SMN2TDP1MAPT
SCHEMBL3202432 0.75 MAPT (0.51) POLBGRK2SMN1; SMN2TDP1MAPT
Sulfuric Acid SCHEMBL10850211 0.73 CA2 (0.88) CA2LOX
SCHEMBL3116490 0.73 TSHR (0.44) POLBGRK2SMN1; SMN2TDP1MAPT
SCHEMBL6695141 0.73 SMN1; SMN2 (0.53) POLBGRK2SMN1; SMN2TDP1MAPT
SCHEMBL6988820 0.72 SMN1; SMN2 (0.68) POLBSMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL6983808 0.72 SMN1; SMN2 (0.68) POLBSMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL1348410 0.70 APOBEC3G (0.50) SMN1; SMN2MAPTKMT2AHPGDLMNA
SCHEMBL1163936 0.70 SMN1; SMN2 (0.66) POLBSMN1; SMN2MAPTCYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed