SCHEMBL18012714

SCHEMBL18012714

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 5/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HCAR3 P49019 4/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL18012764 0.90 CYP1A2 (0.37) SMN1; SMN2PKMKMT2AMAPTALDH1A1
SCHEMBL18012638 0.89 SMN1; SMN2 (0.34) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012426 0.87 SMN1; SMN2 (0.40) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012718 0.86 ALDH1A1 (0.40) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL18012646 0.85 PKM (0.34) PKM
SCHEMBL18012627 0.85 PKM (0.34) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012625 0.82 MAPT (0.39) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012715 0.82 HCAR3 (0.37) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012414 0.81 MAPT (0.41) SMN1; SMN2PKMHPGDKMT2AMAPT
SCHEMBL18012626 0.80 THRA (0.39) SMN1; SMN2PKMHPGDKMT2AMAPT

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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