SCHEMBL5409817

SCHEMBL5409817

Cn1nnc(CNc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
DHFR P00374 1/20 0.38
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4023150 0.83 SMN1; SMN2 (0.47) MAPTMEN1KMT2AL3MBTL1NPC1
SCHEMBL4023565 0.81 GAA (0.49) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL4846761 0.78 RAB9A (0.46) MAPTKMT2AL3MBTL1GAANPC1
SCHEMBL4029331 0.78 GAA (0.46) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4024084 0.74 GAA (0.49) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4020612 0.74 EPHB3 (0.43) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4026774 0.73 TACR1 (0.46) MAPTFFAR1LMNATACR1
SCHEMBL4027203 0.71 DHFR (0.40) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4030229 0.70 HTT (0.47) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL3363237 0.69 MGAM (0.45) MEN1KMT2AATMGAANPC1

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
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed