SCHEMBL11754236

SCHEMBL11754236

O=C(Oc1cccc2ccccc12)c1cccc2ccccc12.[Ni]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.76
▸ GAA P10253 2/20 0.76
▸ POLB P06746 1/20 0.76
▸ HSD17B10 Q99714 2/20 0.59
▸ MAPT P10636 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.56
▸ PGR P06401 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MMP2 P08253 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NR4A1 P22736 1/20 0.53
▸ NR4A2 P43354 1/20 0.53
▸ NR4A3 Q92570 1/20 0.53
▸ ESR1 P03372 3/20 0.53

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
SCHEMBL8367791 0.98 KMT2A (0.78) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL3757751 0.93 KMT2A (0.70) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL29370959 0.88 KMT2A (0.69) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL6938944 0.87 KMT2A (0.63) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL28898508 0.87 KMT2A (0.68) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL25135 0.86 KMT2A (0.77) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL11358096 0.86 KMT2A (0.62) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL29392731 0.86 KMT2A (0.77) KMT2AGAAPOLBHSD17B10MAPT
SCHEMBL27773732 0.86 KMT2A (1.00) KMT2AGAAPOLBHSD17B10MAPT
Acetic Acid SCHEMBL27380873 0.86 KMT2A (0.62) KMT2AGAAPOLBHSD17B10MAPT

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-4011297-A METALS OUTOKUMPU OY (SF) 1977-03-08 — — US disclosed
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