SCHEMBL6233524

SCHEMBL6233524

NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.53
ITGA2B P08514 6/20 0.53
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
HPGDS O60760 3/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
GPR52 Q9Y2T5 1/20 0.46
CDK8 P49336 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
DHODH Q02127 1/20 0.45

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
SCHEMBL6239029 0.82 BAZ2B (0.64) ALDH1A1POLBPIK3CDPIK3CAPIK3CG
SCHEMBL6234378 0.80 HPGDS (0.68) ALDH1A1PIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL27702482 0.80 KMO (0.53) ALDH1A1PIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL27970190 0.79 POLB (0.74) ALDH1A1POLBMRGPRX4HDAC1
SCHEMBL6236761 0.78 DHODH (0.52) ALDH1A1PIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL22050491 0.77 PTPN1 (0.50) ALDH1A1PIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL6237221 0.77 DHODH (0.52) ALDH1A1PIK3CDPIK3CAPIK3CGHPGDS
SCHEMBL5934471 0.76 MEN1 (0.57) POLBHDAC6
SCHEMBL5934763 0.75 TRPV1 (0.54) DHODH
SCHEMBL6235127 0.75 BACE1 (0.57) ALDH1A1PIK3CDPIK3CAPIK3CGKDM1A

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed