SCHEMBL9681875

SCHEMBL9681875

Cc1[nH]c(=O)c(NCc2nc3ccccc3o2)cc1C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
ELANE P08246 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
USP2 O75604 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 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
SCHEMBL9281450 0.83 RAB9A (0.41) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9268706 0.81 RAB9A (0.48) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9431965 0.81 RAB9A (0.40) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9681377 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9432441 0.79 RAB9A (0.43) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9456135 0.78
SCHEMBL9682726 0.76 RAB9A (0.39) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9681865 0.72 C1R (0.39) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9846349 0.72 MAPT (0.50) MAPTRAB9ANPC1ELANELMNA
SCHEMBL9846171 0.71 MAPT (0.40) MAPTRAB9ANPC1ELANELMNA

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed