SCHEMBL14610375

SCHEMBL14610375

COc1cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4cc(F)ccc34)c3ccccc3n2)cc(O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
UBE2I P63279 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
TACR3 P29371 1/20 0.42
DHODH Q02127 2/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL5151787 0.96 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5151791 0.96 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5151797 0.96 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601317 0.90 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601315 0.90 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601316 0.90 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL14610533 0.89 ITGB2 (0.46) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601997 0.89 ITGB2 (0.47) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601818 0.89 MAPT (0.54) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601464 0.89 MAPT (0.54) MAPTPOLBMEN1KMT2AKDM4E

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
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed