SCHEMBL21551955

SCHEMBL21551955

CCCCC1(CCCC)c2cc(C(=O)CC)ccc2-c2ccc(Br)c([N+](=O)[O-])c21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HCAR3 P49019 2/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL21551980 0.82 MAPT (0.41) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL21558082 0.81 SMN1; SMN2 (0.37) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL18012636 0.80 ESPL1 (0.43) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL18012808 0.77 MAPT (0.38) LMNASMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL28203207 0.74 ESPL1 (0.37) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL18235863 0.74 PDK2 (0.45) SMN1; SMN2
SCHEMBL18012751 0.71 HDAC3 (0.41) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL17084366 0.70 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2HDAC3HDAC1
SCHEMBL16550663 0.70 MAPK1 (0.47) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL27584898 0.70 MAPT (0.37) HTTSMN1; SMN2HDAC3HDAC1HDAC2

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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