SCHEMBL8317607

SCHEMBL8317607

CCc1nnc2n(CCCOC)c3ccccc3n12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8314234 0.90 ALDH1A1 (0.45) GAAPLK1ALDH1A1SMN1; SMN2POLB
SCHEMBL8313733 0.83 ALDH1A1 (0.44) GAAPLK1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8317752 0.69 ADORA2A (0.39) GAAPLK1ALDH1A1SMN1; SMN2TSHR
SCHEMBL19538752 0.68 ALDH1A1 (0.37) GAAPLK1ALDH1A1TDP1MAPT
SCHEMBL29941758 0.68 ALDH1A1 (0.64) GAAPLK1ALDH1A1
SCHEMBL10090172 0.68 ALDH1A1 (0.64) GAAPLK1ALDH1A1
SCHEMBL13490798 0.68 ALDH1A1 (0.51) GAAPLK1ALDH1A1SMN1; SMN2POLB
SCHEMBL8311294 0.68 APOBEC3G (0.42) PLK1ALDH1A1POLBTSHRTP53
SCHEMBL19411168 0.66 ALDH1A1 (0.49) GAAPLK1ALDH1A1SMN1; SMN2TSHR
SCHEMBL19411176 0.66 ALDH1A1 (0.49) GAAPLK1ALDH1A1SMN1; SMN2TSHR

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed