SCHEMBL13617213

SCHEMBL13617213

CCCn1cnc(C=C(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OCC)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.33
DUT P33316 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CPB1 P15086 3/20 0.32
TP53 P04637 1/20 0.31
TOP2A P11388 1/20 0.31
GRM4 Q14833 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13617217 0.75 HDAC1 (0.39) CPB2
SCHEMBL3838565 0.71 SIGMAR1 (0.38) CPB2MEN1KMT2ACPB1
SCHEMBL3838561 0.71 SIGMAR1 (0.38) CPB2MEN1KMT2ACPB1
SCHEMBL13617215 0.70 ALDH1A1 (0.43) DUTMEN1KMT2ATOP2ASMN1; SMN2
SCHEMBL13617430 0.69 CPB2 (0.46) CPB2DUTCPB1
SCHEMBL3841255 0.69 CPB2 (0.64) CPB2DUTCPB1
SCHEMBL3841800 0.64 CPB2 (0.57) CPB2DUTCPB1
SCHEMBL3839616 0.64 CPB2 (0.57) CPB2DUTCPB1
SCHEMBL3841237 0.64 CPB2 (0.57) CPB2DUTCPB1
SCHEMBL16427979 0.63 LMNA (0.49) DUTSMN1; SMN2

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed