SCHEMBL295368

SCHEMBL295368

CC1c2cc(S)ccc2CC1Nc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GAA P10253 4/20 0.42
HTT P42858 2/20 0.42
HCRTR1 O43613 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HCRTR2 O43614 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2774832 0.83 MEN1 (0.47) ALDH1A1GAAHTTHCRTR1SMN1; SMN2
SCHEMBL294145 0.74 MEN1 (0.44) ALDH1A1HTTHCRTR1SMN1; SMN2MEN1
SCHEMBL294455 0.72 ALDH1A1 (0.45) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL295977 0.70 ALDH1A1 (0.45) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL17021487 0.66 HCRTR1 (0.53) ALDH1A1GAAHTTHCRTR1SMN1; SMN2
SCHEMBL8989531 0.66 ALDH1A1 (0.58) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL30222894 0.66 ALDH1A1 (0.46) ALDH1A1GAAHTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17028084 0.65 HCRTR1 (0.53) ALDH1A1GAAHTTHCRTR1SMN1; SMN2
Hydrochloric Acid SCHEMBL17007243 0.65 HCRTR1 (0.53) ALDH1A1GAAHTTHCRTR1SMN1; SMN2
Hydrochloric Acid SCHEMBL17007244 0.65 HCRTR1 (0.53) ALDH1A1GAAHTTHCRTR1SMN1; SMN2

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-2240474-B1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-03-14 EP disclosed
EP-2240474-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009080223-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed