SCHEMBL9757327

SCHEMBL9757327

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3Cc4ccc(OC)cc4C3)c(F)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 5/20 0.57
HSD17B10 Q99714 4/20 0.57
PMP22 Q01453 1/20 0.56
TSHR P16473 2/20 0.53
RAB9A P51151 1/20 0.53
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CHRM1 P11229 1/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9757249 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757390 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757121 0.84 KCNH2 (0.54) KDM4EALDH1A1HPGDHSD17B10PIK3CD
SCHEMBL9407622 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL313584 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL7539049 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL312380 0.79 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757501 0.79 HPGD (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL11185030 0.79 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10517107 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed