SCHEMBL7345650

SCHEMBL7345650

N=C(N)c1ccc2cc(-c3ccccc3)ccc2c1OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.40
GPR84 Q9NQS5 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
IKBKB O14920 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
WDR5 P61964 1/20 0.34
HNF4A P41235 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
F3 P13726 2/20 0.34
SERPINE1 P05121 2/20 0.34
PDPK1 O15530 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
SCHEMBL7333620 0.87 HSD17B1 (0.42) F9IKBKBPLGPLAUPRSS1
SCHEMBL7333556 0.84 ERN1 (0.31) PDPK1ERN1BACE1
SCHEMBL7342370 0.83 PLAU (0.46) PLGPLAUF2EGLN2F10
SCHEMBL7336146 0.83 PLAU (0.46) PLGPLAUHNF4A
SCHEMBL7335067 0.83 ASIC3 (0.46) PLAUHNF4A
SCHEMBL7337460 0.83 PLAU (0.32) PLAUF10
SCHEMBL7337120 0.81 PLAU (0.48) PLGPLAU
SCHEMBL7336015 0.81 PLAU (0.34) PLGPLAUF2F10
SCHEMBL7340246 0.79 MMP13 (0.38) PLAU
SCHEMBL7340245 0.79 PLAU (0.44) PLGPLAUPRSS1F2

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-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed