SCHEMBL11380955

SCHEMBL11380955

COc1cc(Cl)cc(Cl)c1-n1[nH]c(C)c(C(C)=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SLC11A2 P49281 2/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11384779 0.72 SMN1; SMN2 (0.38) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL23327143 0.69 MAPK1 (0.53) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4267728 0.64 CYP3A4 (0.66) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL29788609 0.64 CYP3A4 (0.66) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5367920 0.64 KMT2A (0.67) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3233109 0.62 ERN1 (0.47) MAPTKMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL3028435 0.62 KDM4E (0.47) MAPTKMT2AALDH1A1LMNA
SCHEMBL2093961 0.62 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11426116 0.62 MYC (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11375467 0.61 KMT2A (0.51) MAPTMEN1KMT2AGAAALDH1A1

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
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed