SCHEMBL7809982

SCHEMBL7809982

Nc1ccc(NCCO)c(CNc2ccccc2N(CCO)CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PABPC1 P11940 1/20 0.34
RECQL P46063 2/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6269111 0.86 MEN1 (0.36) MEN1KMT2APABPC1CA12CA2
SCHEMBL7812567 0.80 ALDH1A1 (0.34) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7809919 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1EGFR
SCHEMBL6570795 0.79 ALDH1A1 (0.40) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6272151 0.76 CA12 (0.41) ALDH1A1TSHRMEN1KMT2ARECQL
SCHEMBL7816016 0.74 ADRA2B (0.40) TSHRTDP1KMT2AEGFRMAPT
SCHEMBL1444351 0.72 PRKCI (0.39) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6734251 0.72 MEN1 (0.37) MEN1KMT2APABPC1
SCHEMBL7865954 0.71 FCGR3B (0.36) ALDH1A1TSHRTDP1KMT2ARECQL
SCHEMBL7809819 0.71 MEN1 (0.33) MEN1KMT2APABPC1

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-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP disclosed