SCHEMBL28281983

SCHEMBL28281983

C=C(N=[N+]=[N-])c1c(F)cccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
FOLH1 Q04609 1/20 0.31
DYRK3 O43781 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
NTRK1 P04629 1/20 0.30
PRKCG P05129 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 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
SCHEMBL28359769 0.78 CA12 (0.39) HTTALDH1A1HPGDHSD17B10LMNA
SCHEMBL28199752 0.76 BCAT2 (0.43) HTTALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL11191248 0.75 HTT (0.39) HTTALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL28199201 0.74 HNF4A (0.40) ALDH1A1HPGDBCL2L1HSD17B10CASP3
SCHEMBL28280696 0.73 PDCD1 (0.42) ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL28514275 0.72 CES2 (0.42) ALDH1A1HPGDCES2CES1LMNA
SCHEMBL28199177 0.72 MAPT (0.38) HTTFOLH1
SCHEMBL28347361 0.71 SLC6A4 (0.45) HTT
SCHEMBL1927711 0.70 FOLH1 (0.53) HTTALDH1A1CES2CES1LMNA
SCHEMBL28869522 0.70 HNF4A (0.33)

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
CN-109422689-A A kind of 6- replaces the synthetic method of phenanthridines class compound 浙江工业大学 2019-03-05 CN disclosed