SCHEMBL14471237

SCHEMBL14471237

CN1CCC(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
KDM4E B2RXH2 4/20 0.74
LMNA P02545 4/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
MAPT P10636 1/20 0.72
CYP1A2 P05177 1/20 0.70
TOP2A P11388 1/20 0.70
CYP2C9 P11712 1/20 0.70
TOP2B Q02880 1/20 0.70
PIK3CG P48736 7/20 0.60
PIK3CD O00329 5/20 0.60
PIK3R1 P27986 5/20 0.60
PIK3CA P42336 5/20 0.60
DRD3 P35462 1/20 0.60
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL14471235 0.94 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10374013 0.94 KDM4E (0.79) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29576608 0.93 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL2780752 0.93 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10374148 0.91 KDM4E (0.74) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10373193 0.91 KDM4E (0.74) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10566738 0.90 KDM4E (0.73) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL14453824 0.90 KDM4E (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL14453829 0.86 KDM4E (0.68) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10564197 0.86 KDM4E (0.67) 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-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed