SCHEMBL8910413

SCHEMBL8910413

CCOC(=O)C1=Nc2cc3c(c(C)c2=C1C)-c1cccc(F)c1N=3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGB P02675 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
HIF1A Q16665 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35

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
SCHEMBL8536893 0.84 MAPT (0.52) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL8911552 0.77 SMN1; SMN2 (0.36) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL8150303 0.73 MAPT (0.41) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL9434365 0.72 FGB (0.42) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL9215754 0.72 TSHR (0.37) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL1388444 0.69 FGB (0.38) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL7963227 0.69 LMNA (0.36) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL9434368 0.68 SMN1; SMN2 (0.36) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL9434910 0.67 HRH3 (0.37) FGBMAPTLMNAHIF1AHSP90AA1
SCHEMBL7966334 0.67 KDM4E (0.36) FGBMAPTLMNAHIF1AHSP90AA1

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-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed