SCHEMBL9846391

SCHEMBL9846391

CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(OC)nc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
PPARD Q03181 2/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ANO1 Q5XXA6 1/20 0.32
ANO2 Q9NQ90 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL9846244 0.82 APOBEC3A (0.30)
SCHEMBL9846426 0.81 PDE4A (0.35) MAPTTSHRNPY1RNPY2RRAB9A
SCHEMBL9846120 0.80 PPARD (0.33) PPARDTSHR
SCHEMBL9846157 0.78 ALDH1A1 (0.32) MAPTPPARDTSHRSMN1; SMN2NPC1
SCHEMBL9431791 0.76 MAPT (0.40) MAPTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL9846220 0.75 ALOX5 (0.32)
SCHEMBL9846323 0.74
SCHEMBL9846324 0.74
SCHEMBL9846113 0.73 P2RX3 (0.34) SMN1; SMN2L3MBTL1
L-697661 SCHEMBL30432096 0.68 CD38 (0.31)

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