SCHEMBL11254789

SCHEMBL11254789

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cc([N+](=O)[O-])ccc1[S+](C)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ AR P10275 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ GRK6 P43250 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CTSV O60911 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
SCHEMBL11254783 0.96 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL11254998 0.81 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL10732486 0.79 MAPT (0.45) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL11039837 0.79 LMNA (0.36) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6956520 0.78 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL4384277 0.78 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL10727028 0.78 GRK6 (0.52) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL11254969 0.76 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL29383650 0.74 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL2636596 0.74 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTGAA

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
US-4349675-A 4,4-Disubstituted spiro-1,4-dihydropyridines and a process for their production BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 — — US disclosed
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