SCHEMBL21551987

SCHEMBL21551987

CCCCC1(CCCC)c2cc(CCC)ccc2-c2ccc(Sc3ccccc3)c([N+](=O)[O-])c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ HTT P42858 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ GPR55 Q9Y2T6 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ PDE7A Q13946 2/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ MAPT P10636 7/20 0.34
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GSTP1 P09211 1/20 0.30
▸ GSTM2 P28161 1/20 0.30
▸ ELANE P08246 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
SCHEMBL21551965 0.87 SMN1; SMN2 (0.35) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL21551980 0.84 MAPT (0.41) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL21560757 0.81 MAPT (0.40) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL21560743 0.77 MAPT (0.36) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL21558082 0.69 SMN1; SMN2 (0.37) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL21551947 0.68 PDK2 (0.44) CNR1PDK2
SCHEMBL27866696 0.66 SMN1; SMN2 (0.38) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL22958567 0.66 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL31498478 0.66 KCNH2 (0.46) SMN1; SMN2HTTLMNANPSR1GPR55
SCHEMBL29965911 0.65 PDK2 (0.49) HTTNPSR1PDK2HPGD

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-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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