SCHEMBL10736771

SCHEMBL10736771

NCCCCSn1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ PKM P14618 2/20 0.46
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 3/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ KAT2B Q92831 1/20 0.36

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
SCHEMBL11050724 0.79 ALDH1A1 (0.58) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL8555984 0.77 PKM (0.61) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL211698 0.71 L3MBTL1 (0.61) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL19911364 0.71 MAPT (0.61) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL19911377 0.71 PKM (0.64) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL16401986 0.70 ALDH1A1 (0.46) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL5656026 0.69 PKM (0.44) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL594361 0.68 ALDH1A1 (0.60) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL28299485 0.68 ALDH1A1 (0.60) MAPTALDH1A1PKMHPGDKMT2A
SCHEMBL11797084 0.68 PKM (0.64) MAPTALDH1A1PKMHPGDKMT2A

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-4634701-A Furan derivatives having anti-ulcer activity AUSONIA FARMACEUTICI S.R.L. (IT) 1987-01-06 — — US disclosed
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