SCHEMBL8098049

SCHEMBL8098049

CCOC(=O)c1nc(C(=O)O)cn1C1Cc2c(CN3C(=O)c4ccccc4C3=O)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
TRPC5 Q9UL62 1/20 0.34
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8098047 0.95 GAA (0.36) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL7848182 0.89 GRM5 (0.37) ALDH1A1KMT2AMEN1GAARXFP1
SCHEMBL8100190 0.84 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1GABRA1GABRG2
SCHEMBL8011799 0.84 CYP1A2 (0.32) SMN1; SMN2LMNAALDH1A1GABRA1GABRG2
SCHEMBL8013343 0.83 GAA (0.38) SMN1; SMN2LMNAALDH1A1GABRA1GABRG2
SCHEMBL8316162 0.81 MAPT (0.41) SMN1; SMN2LMNAALDH1A1GABRA1GABRG2
SCHEMBL7835755 0.81 ALDH1A1 (0.36) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL8099222 0.81 GAA (0.38) HTTALDH1A1GABRA1GABRG2GABRB3
SCHEMBL8098249 0.81 CYP1A2 (0.33) SMN1; SMN2LMNAALDH1A1GABRA1GABRG2
SCHEMBL8100183 0.79 GAA (0.36) SMN1; SMN2LMNAGABRA1GABRG2GABRB3

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-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed