SCHEMBL22101718

SCHEMBL22101718

C=C(/C=C\C=C/C)Nc1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ TGM2 P21980 1/20 0.42
▸ NMT1 P30419 1/20 0.40
▸ DDAH1 O94760 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MMP1 P03956 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21781161 0.95 TGM2 (0.46) KIF11TGM2NMT1DDAH1TDP1
SCHEMBL18722598 0.82 TGM2 (0.50) KIF11TGM2NMT1DDAH1TDP1
SCHEMBL21944495 0.79 MAOB (0.42) TGM2POLBNPC1RAB9AHTT
SCHEMBL4547005 0.77 MAPT (0.47) TDP1POLBRAB9AHTTLMNA
SCHEMBL27335845 0.74 ALDH1A1 (0.50) NPC1RAB9AHTTSMN1; SMN2L3MBTL1
SCHEMBL14307209 0.69 KDM4E (0.41) POLBRAB9AHTTLMNAMAPK1
SCHEMBL21861083 0.68 NPC1 (0.47) POLBNPC1RAB9AHTTLMNA
SCHEMBL24021481 0.67 POLB (0.46) TGM2NMT1DDAH1TDP1POLB
SCHEMBL25144411 0.66 SMN1; SMN2 (0.56) TDP1POLBNPC1RAB9AHTT
SCHEMBL6587982 0.66 NMT1 (0.70) TGM2NMT1DDAH1TDP1POLB

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
EP-3667752-A1 ELECTRONIC DEVICE AND COMPOUND Novaled GmbH (DE) 2020-06-17 — — EP disclosed
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