SCHEMBL4600855

SCHEMBL4600855

Brc1cnc(-c2cccc3ccccc23)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TGFBR1 P36897 1/20 0.41
ALOX15 P16050 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
PTPN11 Q06124 1/20 0.40
SNCA P37840 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
BCHE P06276 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 1/20 0.36

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
SCHEMBL4585665 0.81 HTR2C (0.48) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11095741 0.79 HTR2C (0.50) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9508351 0.79 ALDH1A1 (0.49) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12914319 0.78 HTR2C (0.46) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30987375 0.78 PTPN1 (0.50) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28745186 0.78 PTPN1 (0.50) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1538345 0.76 HTR2C (0.44) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10988411 0.76 HTR2C (0.47) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL251035 0.74 KDM4E (0.53) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7038054 0.73 ENPP1 (0.43) HTR2CKDM4EALDH1A1HPGDHSD17B10

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-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