SCHEMBL18012710

SCHEMBL18012710

CCC1(CC)c2cc(/C(C)=N/OC(=O)c3ccccc3)ccc2-c2ccc(/C(C)=N/OC(=O)c3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ CDK5R1 Q15078 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RBBP9 O75884 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ XDH P47989 2/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL18012727 0.93 MAPT (0.47) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012813 0.88 KMT2A (0.44) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012725 0.88 MAPT (0.42) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL17953240 0.87 PDK2 (0.45) MAPTCDK5CDK5R1PKMCYP1A2
SCHEMBL18012759 0.87 SMN1; SMN2 (0.42) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012642 0.85 RAB9A (0.39) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012647 0.85 MAPT (0.42) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL28162990 0.85 KMT2A (0.42) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012801 0.84 SMN1; SMN2 (0.40) MAPTCDK5CDK5R1PKMRAB9A
SCHEMBL18012726 0.83 MAPT (0.44) MAPTCDK5CDK5R1PKMRAB9A

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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