SCHEMBL11215767

SCHEMBL11215767

CCOC(CN(CCCl)c1ccccc1)OC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
ERBB2 P04626 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 2/20 0.33
CNR2 P34972 1/20 0.32
CYP3A4 P08684 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALOX15 P16050 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 2/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 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
SCHEMBL11685337 0.89 L3MBTL1 (0.36) SMN1; SMN2LMNAALDH1A1TP53KMT2A
SCHEMBL11207907 0.86 TSHR (0.40) ALDH1A1CNR2KMT2ANPC1RAB9A
SCHEMBL11687133 0.75 RECQL (0.35) LMNAALDH1A1TP53KMT2ANPC1
SCHEMBL10990457 0.74 TSHR (0.33) SMN1; SMN2ALDH1A1KMT2AMAPTHTT
SCHEMBL11670538 0.73 CNR2 (0.39) LMNAALDH1A1TP53CNR2CYP3A4
SCHEMBL10996027 0.72 CYP3A4 (0.36) LMNAALDH1A1TP53CYP3A4KMT2A
SCHEMBL11671708 0.71 TSHR (0.39) ALDH1A1CNR2KMT2ANPC1RAB9A
SCHEMBL11672899 0.70 ATM (0.32) LMNAALDH1A1TP53KMT2AMEN1
SCHEMBL7439630 0.69 TSHR (0.35) KMT2AMEN1CYP1A2MAPTL3MBTL1
SCHEMBL479209 0.68 TSHR (0.55) EGFRERBB2SMN1; SMN2ALDH1A1CNR2

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed