SCHEMBL9433895

SCHEMBL9433895

CC(C)Oc1c(C(N)=O)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.46
TEAD1 P28347 1/20 0.45
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
TEAD2 Q15562 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
AHR P35869 2/20 0.43
MAPK10 P53779 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL9434157 0.86 KDM4E (0.44) KDM4EALDH1A1AHRHSD17B10TP53
SCHEMBL1379206 0.83 KDM4E (0.58) KDM4EALDH1A1TEAD1YAP1TEAD4
SCHEMBL9433730 0.83 KDM4E (0.43) KDM4EALDH1A1IRAK4HSD17B10TP53
SCHEMBL9433172 0.82 SMN1; SMN2 (0.45) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL9433007 0.81 ICAM1 (0.53) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL9432872 0.80 KDM4E (0.59) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL9433051 0.80 MAPT (0.53) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL9433674 0.79 ICAM1 (0.56) KDM4EALDH1A1MAPK10HSD17B10TP53
SCHEMBL9433257 0.77 LMNA (0.54) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL9433069 0.77 EDNRA (0.55) KMT2AMEN1ATMPKM

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