SCHEMBL7531375

SCHEMBL7531375

CCCCCCCCCCCCc1ccc(N=Nc2ccc(N(CCO)CCO)cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
MMP14 P50281 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
PSMD14 O00487 1/20 0.40
MITF O75030 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7536126 0.96 NPC1 (0.48) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL7534641 0.88 CYP3A4 (0.42) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL19822973 0.87 CYP3A4 (0.50) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL7535694 0.87 CYP3A4 (0.50) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL3437423 0.83 CYP3A4 (0.44) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL7531368 0.82 MAPT (0.53) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL7531369 0.82 MAPT (0.53) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL15891950 0.81 MEN1 (0.35) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL19822972 0.81 CYP2D6 (0.48) NPC1MAPTRAB9AKMT2ALMNA
SCHEMBL10269707 0.79 NPC1 (0.49) NPC1MAPTRAB9AKMT2ALMNA

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