SCHEMBL11723336

SCHEMBL11723336

Cn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11722753 0.95 LMNA (0.56) LMNAHSD17B10CASP1CASP7L3MBTL1
SCHEMBL11724229 0.87 ALDH1A1 (0.49) LMNAALDH1A1KDM4EHDAC1HDAC8
SCHEMBL11722066 0.86 LMNA (0.43) LMNAHSD17B10CASP1CASP7L3MBTL1
SCHEMBL11723851 0.86 ALDH1A1 (0.51) LMNACYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL11717303 0.86 ALDH1A1 (0.51) LMNACYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL11724257 0.85 LMNA (0.54) LMNAHSD17B10CASP1CASP7L3MBTL1
SCHEMBL11724092 0.84 ALDH1A1 (0.43) LMNAMTORIRAK1IRAK4CYP2C19
SCHEMBL11725269 0.81 KDM4E (0.39) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL11725390 0.80 ALDH1A1 (0.52) LMNAL3MBTL1IRAK1IRAK4MAPT
SCHEMBL11727356 0.80 ALDH1A1 (0.45) LMNAMAPTALDH1A1HPGDGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US claimed
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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