SCHEMBL6544931

SCHEMBL6544931

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCCC3=O)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.43
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 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
Bromide SCHEMBL1729438 0.99 F2R (0.43) F2RRARARARBRARGLMNA
Bromide SCHEMBL1731462 0.91 F2R (0.52) F2RRARARARBRARGLMNA
Bromide SCHEMBL1730664 0.88 F2R (0.49) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449014 0.88 F2R (0.45) F2RMEN1KMT2AKDM4ENPC1
Bromide SCHEMBL1730405 0.87 F2R (0.45) F2RMEN1KMT2AKDM4ENPC1
Trifluoroacetic Acid SCHEMBL1730061 0.87 F2R (0.46) F2RRARARARBRARG
SCHEMBL14449185 0.86 F2R (0.44) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1731663 0.86 F2R (0.42) F2RRARARARBRARG
Bromide SCHEMBL1729002 0.86 F2R (0.44) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729185 0.85 F2R (0.40) F2RKDM4ENPC1MAPTRAB9A

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-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed