SCHEMBL18012426

SCHEMBL18012426

CCC1(CC)c2cc(/C(C)=N/OC(C)=O)ccc2-c2c([N+](=O)[O-])cc(/C(C)=N/OC(C)=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCAR3 P49019 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL18012779 0.90 SMN1; SMN2 (0.37) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012647 0.89 MAPT (0.42) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012627 0.88 PKM (0.34) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012638 0.88 SMN1; SMN2 (0.34) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012714 0.87 SMN1; SMN2 (0.34) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012763 0.86 ALDH1A1 (0.42) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012823 0.86 SMN1; SMN2 (0.39) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012418 0.85 SMN1; SMN2 (0.38) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012625 0.85 MAPT (0.39) SMN1; SMN2PKMHPGDALDH1A1KMT2A
SCHEMBL18012642 0.84 RAB9A (0.39) PKMKMT2AMAPTPOLBRAB9A

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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