SCHEMBL750261

SCHEMBL750261

O=S(=O)(NCc1ccc(F)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAMPT P43490 2/20 0.55
CYP19A1 P11511 1/20 0.55
CXCR4 P61073 1/20 0.54
CYP2C19 P33261 1/20 0.53
IDO1 P14902 1/20 0.52
KEAP1 Q14145 1/20 0.51
MAPT P10636 1/20 0.51
PAX8 Q06710 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6290759 0.87 MEN1 (0.74) MEN1KMT2ALMNASMN1; SMN2CYP19A1
SCHEMBL18725052 0.86 KEAP1 (0.71) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL15651151 0.85 CA12 (0.59) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL533757 0.85 LMNA (0.56) LMNASMN1; SMN2NAMPTCYP19A1CYP2C19
SCHEMBL9954386 0.84 CYP19A1 (0.58) MEN1KMT2ASMN1; SMN2NAMPTCYP19A1
SCHEMBL534569 0.84 LMNA (0.63) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL4663044 0.82 KEAP1 (0.76) MEN1KMT2ACA1CA2CA9
SCHEMBL6276329 0.81 NAMPT (0.68) LMNASMN1; SMN2NAMPTCYP2C19MAPT
SCHEMBL28413113 0.81 NAMPT (0.64) LMNASMN1; SMN2NAMPTCYP19A1KEAP1
SCHEMBL12980865 0.81 TP53 (0.50) LMNASMN1; SMN2NAMPTCYP2C19IDO1

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-2430011-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 WO disclosed