SCHEMBL11230443

SCHEMBL11230443

N#CC(=Cc1ccccc1I)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ EGFR P00533 4/20 0.55
▸ SLC16A3 O15427 2/20 0.49
▸ SLC16A1 P53985 2/20 0.49
▸ CISD1 Q9NZ45 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.46
▸ MCL1 Q07820 1/20 0.45

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
SCHEMBL393439 0.84 EGFR (0.66) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL2058767 0.84 EGFR (0.66) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL2029718 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL1711226 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL10733520 0.79 TRPA1 (0.61) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL1711227 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL9361224 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL12173470 0.79 KDM4E (0.65) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL9361219 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR
SCHEMBL8665792 0.79 KDM4E (0.60) KDM4ELMNAPKMKMT2AEGFR

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-4359454-A IN SITU POLYMERIZATION OF METHYL CYANOACRYLATE AND DEGRADATION WORLD HEALTH ORGANIZATION (CH) 1982-11-16 — — US disclosed
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