SCHEMBL10676232

SCHEMBL10676232

CCn1cc(C(=O)O)c(=O)c2c1c(F)cc1c(=O)c(C(=O)O)cn(CC)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
HPGD P15428 7/20 0.54
HSD17B10 Q99714 6/20 0.54
ALDH1A1 P00352 6/20 0.54
PMP22 Q01453 1/20 0.53
DRD3 P35462 1/20 0.52
LMNA P02545 4/20 0.51
TSHR P16473 2/20 0.51
BRD4 O60885 1/20 0.51
HTT P42858 1/20 0.51
CYP2J2 P51589 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PIM1 P11309 1/20 0.51
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C9 P11712 1/20 0.49
ATP6V1B2 P21281 1/20 0.49

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
SCHEMBL500816 0.85 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10383416 0.85 MAPT (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL30843076 0.85 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10678788 0.85 KMT2A (0.56) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL584002 0.83 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10330759 0.83 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10741852 0.83 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
Fluoride SCHEMBL6756478 0.83 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10457822 0.83 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL13581396 0.82 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22

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-4719302-A 1,7-phenanthrolines and their use as antifungal agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-12 US claimed
US-4719302-A 1,7-phenanthrolines and their use as antifungal agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-12 US disclosed