SCHEMBL5593532

SCHEMBL5593532

CCc1nc2ncnn2c(O)c1CCC(C)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL5593437 0.88 HSD17B10 (0.40) L3MBTL1HSD17B10HTTSMN1; SMN2MEN1
SCHEMBL373945 0.87 MBOAT4 (0.38)
SCHEMBL5593508 0.87 ALDH1A1 (0.34) L3MBTL1HSD17B10HTTSMN1; SMN2MEN1
SCHEMBL3124321 0.80 MBOAT4 (0.38)
SCHEMBL3682216 0.75
SCHEMBL303893 0.75 MBOAT4 (0.49)
SCHEMBL302661 0.72 MBOAT4 (0.44)
SCHEMBL19193508 0.70 ALDH1A1 (0.42) L3MBTL1HSD17B10HTTSMN1; SMN2MEN1
SCHEMBL5091099 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5095464 0.70 HSD17B10 (0.38) L3MBTL1HSD17B10HTTSMN1; SMN2MEN1

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
WO-2007116011-A2 SUBSTITUTED TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF SE (DE) 2007-10-18 WO disclosed