SCHEMBL14224622

SCHEMBL14224622

Cc1cccc(-c2cc(F)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
KMO O15229 3/20 0.49
CYP2A6 P11509 1/20 0.49
IDO1 P14902 1/20 0.49
METAP2 P50579 1/20 0.49
TGFBR1 P36897 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
BCHE P06276 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
GRM5 P41594 2/20 0.43
PIM1 P11309 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL842168 0.86 CYP2A6 (0.57) ACHEKMOCYP2A6IDO1ABL1
SCHEMBL12408987 0.85 CYP2A6 (0.65) ACHEKMOCYP2A6IDO1METAP2
SCHEMBL25118560 0.85 IDO1 (0.55) ACHEKMOIDO1BCHEGRM5
SCHEMBL14979564 0.80 ASIC3 (0.47) KMOIDO1TGFBR1GRM5
SCHEMBL5934924 0.79 ASIC3 (0.59) KMOTGFBR1GRM5PIM1NPC1
SCHEMBL14125000 0.79 CCR1 (0.74) ACHECYP2A6METAP2ABL1BCR
SCHEMBL15533311 0.79 KMO (0.42) ACHEKMOIDO1ABL1BCR
SCHEMBL23906467 0.79 KMO (0.49) ACHEKMOCYP2A6IDO1METAP2
SCHEMBL28129408 0.79 IDO1 (0.49) ACHEKMOIDO1METAP2BCHE
SCHEMBL14224621 0.79 TGFBR1 (0.57) ACHEKMOCYP2A6IDO1METAP2

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