SCHEMBL8564251

SCHEMBL8564251

CCCCOC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1S(=O)(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.42
ALOX15 P16050 7/20 0.41
GSK3B P49841 1/20 0.41
MDM2 Q00987 3/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MDM4 O15151 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL9052087 0.85 TUBB4A (0.48) GPR17ALOX15GSK3BTNKS2ALDH1A1
SCHEMBL7848100 0.81 GPR17 (0.42) GPR17ALOX15GSK3BTNKS2ALDH1A1
SCHEMBL8570658 0.74 TSHR (0.47) GSK3BALDH1A1KDM4ETSHRMEN1
SCHEMBL20494685 0.73 ALOX15 (0.54) GPR17ALOX15MDM2TNKS2ALDH1A1
SCHEMBL30071216 0.73 ALOX15 (0.54) GPR17ALOX15MDM2TNKS2ALDH1A1
SCHEMBL8564247 0.69 ASAH1 (0.39) GSK3BALDH1A1KMT2A
SCHEMBL7498588 0.67 ALDH1A1 (0.42) GPR17TNKS2ALDH1A1KDM4ETSHR
SCHEMBL20567601 0.66 ALOX15 (0.51) ALOX15ALDH1A1KDM4ETSHRMTNR1A
SCHEMBL20495120 0.66 TNKS2 (0.52) GPR17ALOX15GSK3BTNKS2ALDH1A1
SCHEMBL20570227 0.66 GPR17 (0.52) GPR17ALOX15GSK3BMDM2TNKS2

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-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP disclosed