SCHEMBL7531368

SCHEMBL7531368

CCCCCCCCCCCCc1ccccc1/N=N/c1ccc(N(CCO)CCO)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
MMP14 P50281 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MCL1 Q07820 4/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL7531369 1.00 MAPT (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7536123 0.96 MAPT (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7536122 0.96 MAPT (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7534635 0.88 MAPT (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7534631 0.88 MAPT (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7535690 0.85 CYP3A4 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7535692 0.85 CYP3A4 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7531375 0.82 NPC1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7536126 0.78 NPC1 (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30358241 0.76 CYP3A4 (0.41) MEN1KMT2ANPC1RAB9ATDP1

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-1097188-B1 USE OF AMINO AZOIC DYES AS MARKERS OF OIL DISTILLATION PRODUCTS SIAC IT ADDITIVI CARBURANTI (IT) 2002-04-10 EP disclosed
US-6339145-B1 ADDING TO OIL DISTILLATION PRODUCTS AN AMINO AZOIC DYE COMPOUND SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.R.L. (IT) 2002-01-15 US disclosed