SCHEMBL7530765

SCHEMBL7530765

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
MAPT P10636 12/20 0.40
RAB9A P51151 8/20 0.40
TDP1 Q9NUW8 6/20 0.40
NPC1 O15118 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 2/20 0.39
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 5/20 0.38
PSMD14 O00487 1/20 0.34
MITF O75030 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL7531432 0.91 MAPT (0.50) S100BMAPTRAB9ATDP1NPC1
SCHEMBL3701775 0.87 S100B (0.51) S100BMAPTRAB9ATDP1NPC1
SCHEMBL3437420 0.82 S100B (0.46) S100BMAPTRAB9ATDP1NPC1
SCHEMBL16016940 0.81 RAB9A (0.46) S100BMAPTRAB9ATDP1NPC1
SCHEMBL24849962 0.78 S100B (0.43) S100BMAPTRAB9ATDP1NPC1
SCHEMBL12509970 0.78 S100B (0.43) S100BMAPTRAB9ATDP1NPC1
SCHEMBL12069761 0.77 MAPT (0.47) S100BMAPTRAB9ATDP1NPC1
SCHEMBL3437423 0.76 CYP3A4 (0.44) S100BMAPTRAB9ATDP1NPC1
SCHEMBL16016848 0.76 RAB9A (0.44) S100BMAPTRAB9ATDP1NPC1
SCHEMBL23236821 0.75 RAB9A (0.47) S100BMAPTRAB9ATDP1NPC1

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 4 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
EP-1097188-A1 USE OF AMINO AZOIC DYES AS MARKERS OF OIL DISTILLATION PRODUCTS SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.r.l. (IT) 2001-05-09 EP disclosed
WO-1999067346-A1 USE OF AMINO AZOIC DYES AS MARKERS OF OIL DISTILLATION PRODUCTS SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.R.L. (IT) 1999-12-29 WO disclosed