SCHEMBL7541012

SCHEMBL7541012

CCn1nccc1Oc1ccc(Cn2nnn(C3CC3)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
GCK P35557 6/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7214537 0.86 SIGMAR1 (0.43) GCKLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL7541006 0.86 ALDH1A1 (0.32) ALDH1A1GCKPKMMAPTHTT
SCHEMBL5906209 0.75 NR3C1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7548038 0.75 KDM4C (0.41) GCKKMT2A
SCHEMBL6858795 0.74 CYP3A4 (0.34) ALDH1A1GCKMAPTRAB9ASMN1; SMN2
SCHEMBL5906192 0.71 HPGD (0.40) ALDH1A1MAPTHTTRAB9ALMNA
SCHEMBL5906039 0.65 MAPT (0.39) ALDH1A1MAPTLMNAKMT2A
SCHEMBL6274655 0.64 ADORA2A (0.38) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL14491895 0.64 ADORA2A (0.36) ALDH1A1RAB9AKDM4E
SCHEMBL26358417 0.61 ALDH1A1 (0.64) ALDH1A1PKMMAPTHTTRAB9A

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
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 WO disclosed