SCHEMBL8098249

SCHEMBL8098249

CCOC(=O)c1nc(C(=O)O)cn1C1Cc2c(cccc2C(C)C(=O)OCC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 5/20 0.32
GABRB2 P47870 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL8098246 0.95 GAA (0.38) CYP1A2ALDH1A1GAAGABRA1GABRG2
SCHEMBL7848364 0.95 SMN1; SMN2 (0.32) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8337317 0.93 GAA (0.36) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8316162 0.81 MAPT (0.41) CYP1A2SMN1; SMN2ALDH1A1LMNAGABRA1
SCHEMBL8098049 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1LMNAGAAGABRA1
SCHEMBL8100190 0.81 SMN1; SMN2 (0.33) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8011799 0.80 CYP1A2 (0.32) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8013343 0.79 GAA (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL7835755 0.77 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAGAAKDM4E
SCHEMBL8099222 0.77 GAA (0.38) CYP1A2ALDH1A1GAAGABRA1GABRG2

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