SCHEMBL9518299

SCHEMBL9518299

CC1(C)OCc2cc(Cc3c[nH]cn3)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL9518271 0.76 SLC5A2 (0.39) SLC5A2
SCHEMBL23612453 0.74 PARP1 (0.42) PDE10ASLC5A1SLC5A2
SCHEMBL9518430 0.74 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2A
SCHEMBL9518391 0.73 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2A
SCHEMBL6155424 0.73 CYP4F2 (0.36) SLC5A1SLC5A2
SCHEMBL6157517 0.73 HIF1A (0.35) PDE10A
SCHEMBL9518297 0.71
SCHEMBL3745991 0.71 TAAR1 (0.47) ALDH1A1
SCHEMBL6189927 0.71 PTGS2 (0.38) ALDH1A1SLC5A1SLC5A2
SCHEMBL5534700 0.71 HIF1A (0.32) PDE10AMAPK13MAPK12MAPK11MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed