SCHEMBL4047112

SCHEMBL4047112

O=c1ccncc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDC25B P30305 1/20 0.34
CYP17A1 P05093 3/20 0.34
CYP2A6 P11509 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
DAPK3 O43293 2/20 0.32

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
SCHEMBL8448 0.71 ICAM1 (0.45) LMNAICAM1SELEVCAM1KDM4E
SCHEMBL10970 0.70
SCHEMBL29865416 0.69 KDM4E (0.56) LMNAICAM1SELEVCAM1KDM4E
SCHEMBL29865427 0.69 KDM4E (0.56) LMNAICAM1SELEVCAM1KDM4E
Hydrochloric Acid SCHEMBL10879894 0.68 CYP2A6 (0.40) LMNAICAM1SELEVCAM1CYP17A1
Hydrochloric Acid SCHEMBL10877970 0.68 CYP2A6 (0.40) LMNAICAM1SELEVCAM1CYP17A1
SCHEMBL31509699 0.67 ICAM1 (0.45) LMNAICAM1SELEVCAM1KDM4E
SCHEMBL7057856 0.67 ICAM1 (0.45) LMNAICAM1SELEVCAM1KDM4E
SCHEMBL14438021 0.67 ICAM1 (0.53) LMNAICAM1SELEVCAM1KDM4E
SCHEMBL5377179 0.67 ICAM1 (0.45) LMNAICAM1SELEVCAM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076512-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-07-08 EP disclosed
WO-2008044022-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-17 WO disclosed