SCHEMBL10691007

SCHEMBL10691007

CN1C2CCCC1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 4/20 0.67
LMNA P02545 3/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP1A2 P05177 1/20 0.67
TOP2A P11388 1/20 0.67
CYP2C9 P11712 1/20 0.67
TOP2B Q02880 1/20 0.67
MAPT P10636 1/20 0.66
PIK3CG P48736 7/20 0.56
PIK3CD O00329 5/20 0.55
PIK3R1 P27986 5/20 0.55
PIK3CA P42336 5/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 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
SCHEMBL9748540 0.97 KDM4E (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9184515 0.97 KDM4E (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL10561159 0.96 KDM4E (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10557701 0.92 KDM4E (0.65) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9750278 0.91 KDM4E (0.69) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9703656 0.90 KDM4E (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10839628 0.89 KDM4E (0.68) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748511 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10480355 0.87 KDM4E (0.68) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10480278 0.87 KDM4E (0.66) ALDH1A1KDM4ELMNAHPGDHSD17B10

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-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US claimed