SCHEMBL11053141

SCHEMBL11053141

O=C(COCC(I)=C(I)I)Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN7 P35236 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LIPE Q05469 1/20 0.36
BLM P54132 1/20 0.35

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
SCHEMBL11052584 0.84 GAA (0.54) KMT2ATDP1LMNAGAASMN1; SMN2
SCHEMBL766725 0.83 CYP19A1 (0.42) KMT2ATDP1GAAELANECYP1A2
SCHEMBL11055066 0.79 TDP1 (0.48) KMT2ATDP1GAACYP1A2SMN1; SMN2
SCHEMBL11052962 0.78 MEN1 (0.44) KMT2AGAACYP1A2CYP3A4CYP2C19
SCHEMBL7068289 0.75 LMNA (0.59) TDP1PTGS2LMNAGAACYP1A2
SCHEMBL11215824 0.75 KDM4E (0.39) KMT2ATDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11717993 0.75 KMT2A (0.49) KMT2ATDP1PTGS2LMNAELANE
SCHEMBL11056295 0.74 LMNA (0.53) KMT2ATDP1LMNAGAACYP3A4
SCHEMBL1244295 0.73 KMT2A (0.54) KMT2ATDP1PTGS2LMNAELANE
SCHEMBL643983 0.73 KMT2A (0.63) KMT2ATDP1LMNAELANECYP1A2

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-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed