SCHEMBL1732200

SCHEMBL1732200

CC(C)(C)c1cc(C(=O)CN2Cc3ccc(CO)nc3C2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.43
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.34

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 SCHEMBL5484047 0.99 F2R (0.42) F2RCYP3A4MEN1KMT2AKDM4E
SCHEMBL14449085 0.92 F2R (0.43) F2RCYP3A4MEN1KMT2AKDM4E
Bromide SCHEMBL1730897 0.91 F2R (0.42) F2RMEN1KMT2AKDM4EMAPT
Bromide SCHEMBL1729801 0.90 F2R (0.42) F2RMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL1730971 0.89 F2R (0.43) F2RCYP3A4MEN1KMT2AKDM4E
SCHEMBL1729423 0.89 F2R (0.41) F2RCYP3A4MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5484516 0.88 F2R (0.40) F2RMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL1729216 0.88 F2R (0.40) F2RCYP3A4KDM4EMAPTRAB9A
SCHEMBL14449067 0.88 F2R (0.45) F2RCYP3A4MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1729247 0.87 F2R (0.44) F2RCYP3A4MEN1KMT2AKDM4E

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