SCHEMBL16588241

SCHEMBL16588241

Cc1ccc2c(c1)Oc1cc(N)ccc1C21OCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FTO Q9C0B1 1/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
AVPR1A P37288 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
HTR5A P47898 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL31376332 0.92 LMNA (0.45) LMNANPC1RAB9ASMN1; SMN2FTO
SCHEMBL11687105 0.92 LMNA (0.45) LMNANPC1RAB9ASMN1; SMN2FTO
SCHEMBL24401902 0.85 FTO (0.47) LMNAFTOMAPTMEN1KMT2A
SCHEMBL24401887 0.85 FTO (0.47) LMNAFTOMAPTMEN1KMT2A
SCHEMBL11711333 0.84 LMNA (0.43) LMNANPC1RAB9ASMN1; SMN2FTO
SCHEMBL16768863 0.82 AVPR1A (0.32) LMNAFTOMAPTMEN1KMT2A
SCHEMBL16602965 0.81 PARP1 (0.36) LMNAFTOMAPTMEN1KMT2A
SCHEMBL10013904 0.80 FTO (0.47) LMNANPC1RAB9AFTOMAPT
SCHEMBL22054775 0.79 NPC1 (0.35) LMNANPC1RAB9ASMN1; SMN2FTO
SCHEMBL14878228 0.76 LMNA (0.44) LMNANPC1RAB9ASMN1; SMN2FTO

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-2399920-B1 FLUORESCENT PROBE FOR USE IN MEASUREMENT OF PROTEASE UNIV TOKYO (JP) 2015-03-25 EP disclosed