SCHEMBL14224575

SCHEMBL14224575

Cc1ccnc(-c2cc(-c3ccccc3)ccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.65
CCR5 P51681 1/20 0.65
CCR8 P51685 1/20 0.65
CYP2A6 P11509 1/20 0.56
METAP2 P50579 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDR P35968 2/20 0.44
ASIC3 Q9UHC3 1/20 0.44
UHRF1 Q96T88 1/20 0.43
TGFBR1 P36897 1/20 0.43
PLAU P00749 1/20 0.42
MAPK10 P53779 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL3235044 0.90 CCR1 (0.74) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL7853202 0.89 CCR1 (0.61) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL417290 0.88 ASIC3 (0.54) CCR1CCR5CCR8ASIC3TGFBR1
SCHEMBL2479816 0.87 CYP2A6 (0.59) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL2190158 0.86 CYP2A6 (0.62) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL18267904 0.86 CCR1 (0.57) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL842170 0.86 CYP2A6 (0.67) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL29446990 0.86 CYP2A6 (0.67) CCR1CCR5CCR8CYP2A6METAP2
Hydrochloric Acid SCHEMBL4868804 0.86 ASIC3 (0.52) ASIC3TGFBR1PLAUNOTUM
SCHEMBL4858632 0.86 ASIC3 (0.52) ASIC3TGFBR1PLAUNOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361414-B2 Light emitting device and display apparatus using same CANON KABUSHIKI KAISHA (JP) 2008-04-22 US disclosed