SCHEMBL1729552

SCHEMBL1729552

CC(=Cc1ccc2c(n1)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.39
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1729547 1.00 F2R (0.39) F2REGFRKMT2AMEN1KDM4E
Bromide SCHEMBL5484064 0.99 F2R (0.39) F2REGFRKMT2AMEN1KDM4E
Bromide SCHEMBL5484063 0.99 F2R (0.39) F2REGFRKMT2AMEN1KDM4E
Bromide SCHEMBL1730963 0.92 F2R (0.36) F2RKMT2AMEN1KDM4EMAPT
Bromide SCHEMBL1730965 0.92 F2R (0.36) F2RKMT2AMEN1KDM4EMAPT
Bromide SCHEMBL1729504 0.88 F2R (0.37) F2RKDM4EMAPTRAB9ACYP3A4
Bromide SCHEMBL1729505 0.88 F2R (0.37) F2RKDM4EMAPTRAB9ACYP3A4
Bromide SCHEMBL1730821 0.87 F2R (0.36) F2RKDM4EMAPTRAB9ACYP3A4
Bromide SCHEMBL1730819 0.87 F2R (0.36) F2RKDM4EMAPTRAB9ACYP3A4
Bromide SCHEMBL1729528 0.82 F2R (0.46) F2RKMT2AMEN1KDM4EMAPT

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed