SCHEMBL18012801

SCHEMBL18012801

CCC1(CC)c2ccccc2-c2ccc(C(=N\OC(=O)c3ccccc3)/C(C)=N/OC(=O)c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ PDK2 Q15119 7/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ TNF P01375 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ RBBP9 O75884 1/20 0.34
▸ APEX1 P27695 1/20 0.34

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
SCHEMBL18012759 0.97 SMN1; SMN2 (0.42) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL28162990 0.90 KMT2A (0.42) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012754 0.90 PDK2 (0.38) PDK2APEX1
SCHEMBL18012813 0.86 KMT2A (0.44) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012713 0.86 CDK5 (0.34) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012710 0.84 MAPT (0.53) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012646 0.84 PKM (0.34) PKMPDK2
SCHEMBL18012764 0.83 CYP1A2 (0.37) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012732 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012704 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CDK5CDK5R1MAPTPKM

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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