SCHEMBL7897255

SCHEMBL7897255

CN(C)c1ccc(CCC(O)c2cnc3sc4c(n23)CCCCC4)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
DCTPP1 Q9H773 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GLS O94925 2/20 0.33
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL7338349 0.88 DCTPP1 (0.41) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7338466 0.88 DCTPP1 (0.41) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7338395 0.87 DCTPP1 (0.42) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7329929 0.85 DCTPP1 (0.40) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7337801 0.82 DCTPP1 (0.40) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7338266 0.80 KMT2A (0.42) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7330867 0.79 MAPT (0.37) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7332793 0.70 MAPT (0.42) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7335512 0.66 DCTPP1 (0.43) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL7335315 0.65 MAPT (0.50) MAPTALDH1A1KDM4ELMNAHSD17B10

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-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed