SCHEMBL17970674

SCHEMBL17970674

Cc1ccc2oc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(-c3ccccc3)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
RXFP1 Q9HBX9 3/20 0.53
ADORA2B P29275 2/20 0.53
ALDH1A1 P00352 2/20 0.47
UBE2N P61088 2/20 0.46
CASP1 P29466 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL10945 0.90 HTT (0.55) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL130916 0.77 ADORA2A (0.48) SMN1; SMN2L3MBTL1LMNA
SCHEMBL1944405 0.71 ADORA2B (1.00) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL20561098 0.70 LMNA (0.80) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL20561815 0.68 ADORA2B (0.71) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL11438 0.68 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRLMNAMAPK1
SCHEMBL20561812 0.68 SMN1; SMN2 (0.72) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL4539991 0.68 ADORA2B (0.53) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL10649591 0.68 HTT (0.67) HTTSMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL29651707 0.67 CYP11B1 (0.44) HTTSMN1; SMN2ALDH1A1TSHRLMNA

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
EP-3050876-A2 KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2016-08-03 EP disclosed