SCHEMBL4601938

SCHEMBL4601938

COC(C)CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HDAC1 Q13547 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP13 P45452 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
FPR2 P25090 2/20 0.37
FPR3 P25089 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK10 P53779 1/20 0.37
HDAC3 O15379 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 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
SCHEMBL4601137 0.83 FPR2 (0.49) ALDH1A1HPGDSMN1; SMN2RAB9AFPR2
SCHEMBL4601937 0.80 HPGD (0.50) ALDH1A1KDM4EHPGDRAB9AFPR2
SCHEMBL4601463 0.79 FPR3 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HDAC1
SCHEMBL14066779 0.78 RAB9A (0.46) SMN1; SMN2HDAC1RXFP1RAB9AHDAC6
SCHEMBL4599626 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2HDAC1
SCHEMBL3643316 0.76 RAB9A (0.55) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL4600687 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HDAC1L3MBTL1MAPK1
SCHEMBL4601715 0.75 SMN1; SMN2 (0.55) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL4601382 0.74 GAA (0.49) SMN1; SMN2RAB9AKDRMEN1KMT2A
SCHEMBL4601056 0.73 NAMPT (0.46) HDAC6FPR2HDAC4

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-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP claimed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO claimed
EP-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO disclosed