SCHEMBL3700306

SCHEMBL3700306

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD1 Q9Y239 4/20 0.35
TNF P01375 3/20 0.35
RAB9A P51151 3/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
POLB P06746 1/20 0.34
DHODH Q02127 2/20 0.34
GALR3 O60755 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
NOD2 Q9HC29 1/20 0.34
PTGDR Q13258 1/20 0.34
ATM Q13315 1/20 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
SCHEMBL701250 0.88 KMO (0.39) PTGDR2POLBDHODHPTGDR
SCHEMBL733809 0.87 PTGDR2 (0.42) PTGDR2DHODHPTGDRATM
SCHEMBL733257 0.86 CYP11B1 (0.41) SMN1; SMN2NOD1TNFPTGDR2DHODH
SCHEMBL732680 0.84 GAA (0.35) GAAKMT2ASMN1; SMN2NOD1TNF
SCHEMBL732679 0.84 GAA (0.35) GAAKMT2ASMN1; SMN2NOD1TNF
SCHEMBL732108 0.82 KDM4C (0.41) PTGDR2
SCHEMBL732107 0.82 KDM4C (0.41) PTGDR2
SCHEMBL3690025 0.81 DHODH (0.37) KMT2ANOD1TNFRAB9ADHODH
SCHEMBL3690030 0.81 DHODH (0.37) KMT2ANOD1TNFRAB9ADHODH
SCHEMBL733721 0.81 MMP2 (0.43) KMT2ANOD1TNFNOD2

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed