SCHEMBL6273733

SCHEMBL6273733

OCCN(CCO)c1ccc2nc3ccc(N(CCO)CCO)cc3[s+]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TERT O14746 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
Bromide SCHEMBL4851959 0.98 KMT2A (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL129138 0.83 TERT (0.44) KMT2AMAPTMEN1TP53ATM
Bromide SCHEMBL9500678 0.82 MAP4K4 (0.40) MAPTTERTL3MBTL1
Bromide SCHEMBL5791833 0.81 TERT (0.43) KMT2AMAPTMEN1TP53ATM
SCHEMBL127217 0.80 TERT (0.42) KMT2AMAPTMEN1LMNAATM
Bromide SCHEMBL1146683 0.79 TERT (0.41) KMT2AMAPTMEN1LMNAATM
SCHEMBL1470931 0.79 TERT (0.53) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL12812982 0.79 TERT (0.38) KMT2AMAPTMEN1TERTALDH1A1
Hydrochloric Acid SCHEMBL5144530 0.79 TERT (0.41) KMT2AMAPTMEN1NPSR1TERT
SCHEMBL129370 0.79 TERT (0.61) KMT2AMAPTMEN1LMNASMN1; SMN2

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
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 EP claimed
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 EP disclosed