SCHEMBL11742001

SCHEMBL11742001

CC1CCc2cc(F)cc3c(=O)c(C(=O)Cl)cn1c23

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
CYP1A2 P05177 1/20 0.80
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
LMNA P02545 2/20 0.46
TLR2 O60603 3/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HIF1A Q16665 3/20 0.39
TUBB4A P04350 1/20 0.38
POLB P06746 1/20 0.38
TUBB P07437 1/20 0.38

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
Flumequine SCHEMBL49830 0.89 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Flumequine SCHEMBL49829 0.89 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Flumequine SCHEMBL30767693 0.89 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Flumequine SCHEMBL29465201 0.89 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL11747062 0.88 KDM4E (0.80) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Flumequine SCHEMBL29024599 0.88 KDM4E (0.98) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Flumequine SCHEMBL29171109 0.88 KDM4E (0.98) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL11743280 0.87 KDM4E (0.76) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
Water SCHEMBL11746655 0.87 KDM4E (0.79) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL11746236 0.86 KDM4E (0.77) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4014877-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1977-03-29 US claimed
US-4014877-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1977-03-29 US disclosed
US-4001243-A ANTI-MICROBIAL RIKER LABORATORIES, INC. (US) 1977-01-04 US disclosed
US-3985882-A ADMISTERING RIKER LABORATORIES, INC. (US) 1976-10-12 US disclosed
US-3969463-A MICROBIOCIDE RIKER LABORATORIES, INC. (US) 1976-07-13 US disclosed