SCHEMBL9846095

SCHEMBL9846095

CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
APLNR P35414 2/20 0.42
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.38
DDAH1 O94760 1/20 0.38
ADRA2C P18825 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9449230 0.89 MAPT (0.50) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846186 0.87 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL5573693 0.85 MAPT (0.54) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9449331 0.83 MAPT (0.44) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846167 0.76 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9431768 0.75 MAPT (0.54) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846349 0.75 MAPT (0.50) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846394 0.74 MAPT (0.49) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846193 0.73 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9268706 0.73 RAB9A (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2

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