SCHEMBL4555736

SCHEMBL4555736

O=S(=O)(c1ccc(Cl)s1)N1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.67
TSHR P16473 3/20 0.65
RECQL P46063 1/20 0.65
KMT2A Q03164 2/20 0.62
LMNA P02545 3/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.55
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
PGR P06401 2/20 0.52

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
SCHEMBL26010794 1.00 L3MBTL1 (0.67) L3MBTL1TSHRRECQLKMT2ALMNA
SCHEMBL4228483 0.83 L3MBTL1 (0.63) L3MBTL1TSHRKMT2ALMNAMAPK1
Hydrochloric Acid SCHEMBL1348323 0.81 L3MBTL1 (0.66) L3MBTL1TSHRKMT2ALMNAMAPK1
SCHEMBL29512604 0.80 KMT2A (0.64) L3MBTL1TSHRRECQLKMT2ALMNA
SCHEMBL12793360 0.79 KMT2A (0.68) L3MBTL1TSHRRECQLKMT2ALMNA
SCHEMBL13341708 0.79 L3MBTL1 (0.51) L3MBTL1TSHRRECQLKMT2ALMNA
SCHEMBL2976598 0.79 TSHR (1.00) TSHRRECQLKMT2ALMNAMAPK1
SCHEMBL18711914 0.78 L3MBTL1 (0.61) L3MBTL1TSHRKMT2ALMNAMAPK1
SCHEMBL621187 0.76 TSHR (0.96) L3MBTL1TSHRRECQLKMT2ALMNA
SCHEMBL29512737 0.76 KMT2A (0.59) L3MBTL1TSHRRECQLKMT2ALMNA

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-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed