SCHEMBL11635946

SCHEMBL11635946

CCCCN(C(C)=O)c1c(I)c(NC(=O)CCCC(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MLYCD O95822 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
SCHEMBL11630200 0.90 MAPK1 (0.43) MAPK1TSHRLMNAGAAL3MBTL1
SCHEMBL11631270 0.82 MAPK1 (0.45) MAPK1TSHRLMNAGAAL3MBTL1
SCHEMBL11629614 0.80 MAPK1 (0.48) MAPK1TSHRLMNAGAAKMT2A
SCHEMBL11630987 0.80 TSHR (0.43) MAPK1TSHRGAAL3MBTL1KMT2A
SCHEMBL11630993 0.80 TSHR (0.52) MAPK1TSHRGAAL3MBTL1KMT2A
SCHEMBL11631814 0.79 MAPK1 (0.47) MAPK1TSHRLMNAKMT2AMEN1
SCHEMBL11631966 0.78 MAPK1 (0.43) MAPK1TSHRLMNAGAAL3MBTL1
SCHEMBL11635644 0.78 TSHR (0.36) MAPK1TSHRLMNAGAAKMT2A
SCHEMBL11631680 0.78 MAPK1 (0.58) MAPK1TSHRLMNAGAAL3MBTL1
SCHEMBL8948559 0.78 MAPK1 (0.58) MAPK1TSHRLMNAGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4111937-A IODINATED ANILIC ACIDS STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4031088-A Iodinated anilic acids STERLING DRUG INC. (US) 1977-06-21 US disclosed