SCHEMBL28021548

SCHEMBL28021548

O=[N+]([O-])c1ccc(N2CC[CH]CC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.63
MAPT P10636 9/20 0.63
LMNA P02545 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6815260 0.87 GAA (0.69) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6811691 0.85 GAA (0.71) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL29937693 0.83 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL30464734 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL29793662 0.83 ALDH1A1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL5058298 0.83 ALDH1A1 (0.71) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL4137108 0.83 MAPT (0.63) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2461666 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2103553 0.83 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL899512 0.83 ALDH1A1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2GAA

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
CN-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 CN disclosed
CN-104725356-A Nitrogen heterocyclic derivatives and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed