SCHEMBL2452843

SCHEMBL2452843

COc1c(-c2cccs2)ccc(C(N)=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
NEK2 P51955 1/20 0.46
MAPT P10636 6/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TNFRSF1A P19438 1/20 0.43
ERN1 O75460 1/20 0.43
AR P10275 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41

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
SCHEMBL4452050 0.78 BTK (0.50) BTKNEK2MAPTGAAKDM4E
SCHEMBL2417969 0.78 ALDH1A1 (0.49) BTKNEK2MAPTGAAKDM4E
SCHEMBL18133657 0.77 ERN1 (0.50) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2456053 0.76 BTK (0.46) BTKNEK2MAPTGAAKDM4E
SCHEMBL12970786 0.75 NNMT (0.50) MAPTKDM4EALDH1A1TSHRIKBKB
SCHEMBL7214449 0.72 ERN1 (0.46) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2454771 0.71 KMT2A (0.41) BTKNEK2MAPTGAAKDM4E
SCHEMBL5789827 0.71 NNMT (0.46) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL3559657 0.71 ALDH1A1 (0.54) BTKMAPTGAAKDM4EALDH1A1
SCHEMBL11482371 0.70 KDM4E (0.51) BTKMAPTGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663193-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-06-07 EP claimed
WO-2005025558-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 US disclosed