SCHEMBL9846311

SCHEMBL9846311

CCc1cc(CCc2nc3ccccc3o2)c(OCc2ccccc2)nc1CN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37

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
SCHEMBL9846131 0.90 MAPT (0.44) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846076 0.90 MAPT (0.44) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846112 0.88 TP53 (0.44) MAPTRAB9ANPC1TP53LMNA
SCHEMBL9846108 0.82 MAPT (0.41) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9449331 0.72 MAPT (0.44) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846095 0.70 MAPT (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9449235 0.69 ATP4A (0.40) RAB9ANPC1L3MBTL1
SCHEMBL9449238 0.69 ATP4A (0.40) RAB9ANPC1L3MBTL1
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.68 MAPT (0.81) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL6954929 0.67 L3MBTL1 (0.41) SMN1; SMN2HTTL3MBTL1

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed