SCHEMBL11784359

SCHEMBL11784359

N#CCCn1[nH]c(C(=O)O)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
ALKBH5 Q6P6C2 14/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11143621 0.86 KDM4E (0.51) KDM4EMAPTTHRBHTTALDH1A1
SCHEMBL11784403 0.83 ALKBH5 (0.41) KDM4EMAPTTHRBHTTALKBH5
SCHEMBL11786336 0.80 KDM4E (0.46) KDM4EMAPTTHRBHTTALDH1A1
SCHEMBL11784456 0.80 KDM4E (0.46) KDM4EMAPTTHRBHTTALDH1A1
SCHEMBL9698760 0.78 SMN1; SMN2 (0.57) MAPTALKBH5ALDH1A1MEN1KMT2A
SCHEMBL10597486 0.76 L3MBTL1 (0.52) KDM4EMAPTALKBH5ALDH1A1KMT2A
SCHEMBL5442000 0.75 KDM4E (0.56) KDM4EMAPTTHRBHTTALDH1A1
SCHEMBL11143613 0.75 KDM4E (0.56) KDM4EMAPTTHRBHTTALDH1A1
SCHEMBL10398203 0.74 MEN1 (0.50) KDM4EALKBH5ALDH1A1MEN1KMT2A
SCHEMBL10903062 0.74 ALKBH5 (0.44) ALKBH5ALDH1A1MEN1KMT2ASMN1; SMN2

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-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed