SCHEMBL9356252

SCHEMBL9356252

Cc1cccc(-c2cc(Br)cc(C)n2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.64
CCR8 P51685 1/20 0.64
METAP2 P50579 1/20 0.46
CYP2A6 P11509 1/20 0.42
TGFBR1 P36897 5/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
GRM5 P41594 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HCRTR1 O43613 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 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
SCHEMBL14681831 0.85 NPC1 (0.36) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL30511194 0.80 CCR1 (1.00) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL29388304 0.80 CCR1 (1.00) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL196966 0.80 CCR1 (1.00) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL15470587 0.79 CCR1 (0.70) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL29751933 0.78 CCR1 (0.94) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL20557390 0.78 CCR1 (0.94) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL29751919 0.78 CCR1 (0.94) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL3423401 0.78 CCR1 (0.94) CCR1CCR8METAP2CYP2A6TGFBR1
SCHEMBL3422291 0.78 CCR1 (0.94) CCR1CCR8METAP2CYP2A6TGFBR1

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-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed