SCHEMBL8011799

SCHEMBL8011799

CCOC(=O)c1nc(C(=O)O)cn1C1Cc2c(CP(=O)(OCC)OCC)cccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8011792 0.95 GAA (0.36) CYP1A2ALDH1A1GAAGABRA1GABRG2
SCHEMBL7823416 0.93
SCHEMBL8017443 0.89 FGFR1 (0.31) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8098049 0.84 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1LMNAGAAGABRA1
SCHEMBL8100190 0.84 SMN1; SMN2 (0.33) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8020015 0.83 P2RX7 (0.33) ALDH1A1GAAMAPT
SCHEMBL8013343 0.82 GAA (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL7835755 0.81 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAGAAMEN1
SCHEMBL8099222 0.81 GAA (0.38) CYP1A2ALDH1A1GAAGABRA1GABRG2
SCHEMBL8098249 0.80 CYP1A2 (0.33) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA

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-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed