SCHEMBL11512947

SCHEMBL11512947

COC(C)(C)c1ccc(N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 1/20 0.36
MAPT P10636 7/20 0.36
GAA P10253 6/20 0.36
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 3/20 0.35
USP2 O75604 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 4/20 0.33
CYP3A4 P08684 2/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL9503076 0.85 CASP1 (0.43) CASP1MAPTGAAMAPK1ALDH1A1
SCHEMBL398357 0.78 CASP1 (0.48) CASP1HSD17B10MAPTGAAMAPK1
SCHEMBL8941827 0.76 PARP10 (0.43) CASP1HSD17B10MAPTGAAMAPK1
SCHEMBL11513608 0.75 CASP1 (0.38) CASP1MAPTGAAMAPK1ALDH1A1
SCHEMBL3356943 0.74 CASP1 (0.44) CASP1HSD17B10MAPTGAAALDH1A1
SCHEMBL18403717 0.74 ALDH1A1 (0.43) CASP1HSD17B10GAAMAPK1ALDH1A1
SCHEMBL11511537 0.73 ALDH1A1 (0.42) CASP1HSD17B10MAPTGAAALDH1A1
SCHEMBL20869790 0.71 CASP1 (0.41) CASP1HSD17B10MAPTGAAMAPK1
SCHEMBL10582996 0.71 MAPT (0.43) CASP1MAPTGAAMAPK1ALDH1A1
SCHEMBL29037514 0.69 CASP1 (0.40) CASP1HSD17B10MAPTGAAMAPK1

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
US-4171203-A IN COMBINATION WITH A TETRAAMINOPYRIMIDING COUPLER SURFACTANTS AND THICKENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-10-16 US disclosed