SCHEMBL9757380

SCHEMBL9757380

O=C(O)c1cn(C2CC2)c2cc(-n3cc4ccccc4c3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
TOP2B Q02880 3/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
TOP2A P11388 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPT P10636 1/20 0.61
PIK3CG P48736 6/20 0.56
PIK3CD O00329 4/20 0.55
PIK3R1 P27986 4/20 0.55
PIK3CA P42336 4/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9757673 0.89 PIK3CG (0.63) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL10073764 0.88 KDM4E (0.68) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL9757395 0.85 KDM4E (0.55) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL9757383 0.84 KDM4E (0.69) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL25380565 0.84 KDM4E (0.69) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL30306083 0.84 KDM4E (0.69) KDM4EALDH1A1LMNATOP2BHPGD
Hydrochloric Acid SCHEMBL25380878 0.83 KDM4E (0.68) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL9757394 0.82 KDM4E (0.55) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL501238 0.82 KDM4E (0.69) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL29442121 0.82 KDM4E (0.69) KDM4EALDH1A1LMNATOP2BHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed