SCHEMBL10995672

SCHEMBL10995672

CC1CCc2c(N3CCC(=O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.83
KDM4E B2RXH2 11/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 6/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 4/20 0.56
ALB P02768 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
POLB P06746 3/20 0.55
AADAT Q8N5Z0 2/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55

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
SCHEMBL11185046 0.93 LMNA (0.85) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10994613 0.92 LMNA (0.87) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11000799 0.92 LMNA (0.83) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Nadifloxacin SCHEMBL3818938 0.91 LMNA (1.00) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Vebufloxacin SCHEMBL29391678 0.91 LMNA (0.82) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Nadifloxacin SCHEMBL29429713 0.91 LMNA (1.00) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Nadifloxacin SCHEMBL36593 0.91 LMNA (1.00) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Levonadifloxacin SCHEMBL36594 0.91 LMNA (1.00) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Vebufloxacin SCHEMBL866602 0.91 LMNA (0.82) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Levonadifloxacin SCHEMBL29390463 0.91 LMNA (1.00) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1

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-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed