SCHEMBL9711499

SCHEMBL9711499

CN1C(=O)C(C(=O)c2ccccc2[N+](=O)[O-])C(=O)CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
ACHE P22303 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9711575 0.87 NPC1 (0.43) KMT2AALDH1A1ATMMEN1ACHE
SCHEMBL9711636 0.74 KMT2A (0.41) KMT2AALDH1A1MEN1HTT
SCHEMBL9711709 0.74 ATM (0.44) KMT2AALDH1A1ATMMEN1
SCHEMBL9711484 0.74 MAPT (0.40) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9711459 0.73 KMT2A (0.41) KMT2AALDH1A1MEN1ACHEHTT
SCHEMBL9711515 0.72 MAPT (0.41) ALDH1A1ACHEMAPT
SCHEMBL7275303 0.72 HPD (0.61) KMT2AALDH1A1MEN1
SCHEMBL29564164 0.70 ALDH1A1 (0.45) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL7275143 0.70 ALDH1A1 (0.45) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9711481 0.70 SMN1; SMN2 (0.41) ALDH1A1

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed