SCHEMBL7531432

SCHEMBL7531432

CCC(C)c1ccc(N=Nc2ccc(N(CC)CCO)cc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
RAB9A P51151 7/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 5/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
MMP14 P50281 1/20 0.50
PSMD14 O00487 1/20 0.47
MITF O75030 1/20 0.47
CYP2C9 P11712 1/20 0.38
ATM Q13315 2/20 0.36
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 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
SCHEMBL7530765 0.91 S100B (0.41) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL8988877 0.81 MAPT (0.52) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL3701775 0.78 S100B (0.51) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL7536126 0.78 NPC1 (0.48) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL29596363 0.77 MAPT (0.61) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL107987 0.77 MAPT (0.61) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL107988 0.77 MAPT (0.61) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL8250902 0.75 MAPT (0.58) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL14366705 0.74 MAPT (0.61) MAPTRAB9AKMT2ANPC1TDP1
SCHEMBL25485940 0.74 KMT2A (0.65) MAPTRAB9AKMT2ANPC1TDP1

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