SCHEMBL11544355

SCHEMBL11544355

Nc1ccc(C(=O)NCCO)c(C(=O)NCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
CA3 P07451 3/20 0.45
CA4 P22748 3/20 0.45
CA6 P23280 3/20 0.45
CA5A P35218 3/20 0.45
CA7 P43166 3/20 0.45
CA13 Q8N1Q1 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL8054403 0.92 MAPT (0.47) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL31079648 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL23243065 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL8058352 0.82 HTT (0.56) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL11544357 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL13733997 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AHTTPOLB
SCHEMBL7601783 0.81 HTR2A (0.52) ALDH1A1KDM4EMAPTHTR2ATSHR
SCHEMBL17774808 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL436632 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTCASP1CASP7
Water SCHEMBL1648598 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCASP1CASP7

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-4154577-A Uniformly disperse dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed
US-3974123-A Dyes for thermoplastics BASF AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed