SCHEMBL20544210

SCHEMBL20544210

Nc1ccc2c(c1)N(CCO)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CHRM2 P08172 5/20 0.42
CHRM4 P08173 5/20 0.42
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
REN P00797 6/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
SMAD3 P84022 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16274465 0.84 KMT2A (0.60) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL15037587 0.84 BRD4 (0.41) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL15037988 0.83 HRH3 (0.48) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL15037989 0.82 HRH3 (0.50) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL15037588 0.82 BRD4 (0.40) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL11789019 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL6683534 0.81 HRH3 (0.51) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL15037580 0.81 BRD4 (0.43) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL4436018 0.81 REN (0.52) BRD4ATAD2ALDH1A1KMT2AMEN1
SCHEMBL2674785 0.81 ALDH1A1 (0.52) BRD4ATAD2ALDH1A1KMT2AMEN1

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
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed