SCHEMBL6971023

SCHEMBL6971023

[CH2]CNC(=O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
RAB9A P51151 1/20 0.43
S1PR2 O95136 1/20 0.42
FABP4 P15090 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8957220 0.82 BCHE (0.50) BCHEACHERAB9AS1PR2FABP4
SCHEMBL11490893 0.79 BCHE (0.51) BCHEACHES1PR2FABP4
SCHEMBL6503562 0.79 TAS1R3 (0.48) MEN1KMT2AHPGDHTT
SCHEMBL8957068 0.78 BCHE (0.47) BCHEACHERAB9AS1PR2FABP4
SCHEMBL6970353 0.78 S1PR2 (0.47) BCHEACHERAB9AS1PR2MEN1
SCHEMBL6402681 0.78 KDM4E (0.52) BCHEACHES1PR2MEN1KMT2A
SCHEMBL23060397 0.77 S1PR2 (0.50) BCHEACHES1PR2FABP4MEN1
SCHEMBL11618159 0.77 SMN1; SMN2 (0.60) BCHEACHEFABP4MEN1KMT2A
SCHEMBL3028308 0.77 BCHE (0.46) BCHEACHES1PR2FABP4MEN1
SCHEMBL11646123 0.75 CACNA1I (0.53) TDP1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed