SCHEMBL9433908

SCHEMBL9433908

CC(C)Oc1oc(C(N)=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SLC9A1 P19634 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.35
TEAD1 P28347 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
TP53 P04637 3/20 0.35
ACHE P22303 1/20 0.34
LMNA P02545 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34

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
SCHEMBL9434171 0.85 KMT2A (0.40) IRAK4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9433742 0.83 RXRA (0.43) IRAK4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9433019 0.82 ICAM1 (0.48) IRAK4PARP10ALDH1A1GAAKDM4E
SCHEMBL9433179 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9432880 0.81 KDM4E (0.47) IRAK4PARP10ALDH1A1SMN1; SMN2GAA
SCHEMBL9433688 0.80 ICAM1 (0.51) PARP10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9433079 0.78 EDNRA (0.51) PARP10ACHE
SCHEMBL9433895 0.75 KDM4E (0.47) IRAK4ALDH1A1MEN1KMT2AMAPT
SCHEMBL2790486 0.72 KDM4E (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9432939 0.71 RXRA (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed