SCHEMBL9439014

SCHEMBL9439014

[CH2]c1ccc(CCOCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
TSHR P16473 2/20 0.42
CA2 P00918 2/20 0.37
KCNH2 Q12809 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP4A11 Q02928 3/20 0.32
CYP4F2 P78329 2/20 0.32
APP P05067 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL9250522 0.82 MEN1 (0.44) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL9358826 0.81 CA2 (0.60) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL321367 0.79 TAAR1 (0.45) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL4670222 0.79 MEN1 (0.46) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL3169926 0.79 TAAR1 (0.45) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL10792748 0.79 KCNH2 (0.51) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL11876842 0.79 ALDH1A1 (0.41) MEN1KMT2AMAPK1ALDH1A1USP2
Di(Hydroxyethyl)Ether SCHEMBL16085977 0.78 TDP1 (0.58) MEN1KMT2AMAPK1ALDH1A1CASP1
SCHEMBL1180141 0.78 TDP1 (0.58) MEN1KMT2AMAPK1ALDH1A1CASP1
SCHEMBL11877780 0.77 ALDH1A1 (0.42) MEN1KMT2AMAPK1ALDH1A1USP2

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-5330960-A Benzindole dyes, colorfastness, photostability DAI NIPPON PRINTING CO., LTD. (JP) 1994-07-19 US disclosed