SCHEMBL10909576

SCHEMBL10909576

CNN(C(C)=O)n1cccc1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RECQL P46063 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36

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
Fumaric Acid SCHEMBL10366169 0.93 MEN1 (0.40) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL10907131 0.81 GAA (0.42) ALDH1A1MEN1LMNAMAPTKMT2A
Bromide SCHEMBL10365168 0.80 GAA (0.41) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL10365911 0.75 ALDH1A1 (0.49) ALDH1A1RECQLMEN1LMNAMAPT
Bromide SCHEMBL10366163 0.70 ALDH1A1 (0.50) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL10909585 0.70 MEN1 (0.47) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL10365808 0.70 MAPT (0.47) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL10366284 0.69 ALDH1A1 (0.46) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL8305160 0.69 MAPT (0.56) ALDH1A1RECQLMEN1LMNAMAPT
SCHEMBL10366286 0.69 MEN1 (0.46) ALDH1A1RECQLMEN1LMNAMAPT

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-4588727-A ANALGESICS, TRANQUILLIZERS, ANTICONVULSANTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-05-13 US claimed