SCHEMBL8922460

SCHEMBL8922460

CC(C)(C)n1cc(C(=O)OC(=O)c2cn(C(C)(C)C)c3cc(N4CC5C=CC=CC5(N)C4)c(F)cc3c2=O)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 6/20 0.35
HSD17B10 Q99714 6/20 0.35
HPGD P15428 5/20 0.35
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
RAD52 P43351 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 1/20 0.32
DRD3 P35462 1/20 0.32
TOP1 P11387 1/20 0.32
CYP1A2 P05177 1/20 0.32
TOP2A P11388 1/20 0.32
CYP2C9 P11712 1/20 0.32
TOP2B Q02880 1/20 0.32
BRD4 O60885 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP2J2 P51589 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
SCHEMBL8920655 0.94 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8922450 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8321528 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8921121 0.87 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8321532 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8920647 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8922878 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8925008 0.85 KDM4E (0.36) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8923203 0.84 KMT2A (0.40) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL8324379 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDKMT2A

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
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed