SCHEMBL3820179

SCHEMBL3820179

CC1c2ccc(S(C)(=O)=O)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 1/20 0.37
RORC P51449 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
QRFPR Q96P65 1/20 0.36
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GRM5 P41594 2/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
AKR1C3 P42330 1/20 0.33

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
SCHEMBL3812045 0.93 HCRTR2 (0.39) DRD1MEN1KMT2AHCRTR2CA12
SCHEMBL3819310 0.89 RORC (0.37) MEN1KMT2ARORCCA12CA1
SCHEMBL3819949 0.86 GRIN2C (0.46) MEN1KMT2ACA1CA2CA9
SCHEMBL3821156 0.85 DRD1 (0.39) DRD1MEN1KMT2AHCRTR2QRFPR
SCHEMBL1010496 0.85 GRM5 (0.44) DRD1MEN1KMT2ARORCQRFPR
SCHEMBL8012792 0.85 DRD1 (0.49) DRD1MEN1KMT2AHTTGRM5
SCHEMBL3824223 0.85 DRD1 (0.49) DRD1MEN1KMT2AHTTGRM5
SCHEMBL3812114 0.85 DRD1 (0.49) DRD1MEN1KMT2AHTTGRM5
SCHEMBL3811755 0.84 KMT2A (0.43) DRD1MEN1KMT2AQRFPRHTT
SCHEMBL3813174 0.84 HTT (0.47) DRD1MEN1KMT2AQRFPRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed