SCHEMBL13717469

SCHEMBL13717469

Nc1ccc(Nc2ccc(Cc3ccc(Nc4ccc(N)c5c4C(=O)c4ccccc4C5=O)cc3)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 6/20 0.57
▸ P2RY4 P51582 4/20 0.57
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ADORA2A P29274 2/20 0.54
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ FGR P09769 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54

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
SCHEMBL11540883 0.89 P2RY4 (0.61) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL4704714 0.87 ADORA2A (0.59) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL11606520 0.87 P2RY12 (0.60) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL30918998 0.86 ADORA2A (0.63) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL29527792 0.86 ADORA2A (0.63) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL169365 0.86 ADORA2A (0.63) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL2871232 0.85 MEN1 (0.50) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL29637824 0.85 MEN1 (0.50) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL10809232 0.84 P2RY4 (0.60) P2RY12P2RY4MEN1KMT2AMAPT
SCHEMBL1994395 0.84 P2RY12 (0.60) P2RY12P2RY4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198001-A1 Use of a bridged bisanthraquinone dye derivate CLARIANT FINANCE (BVI) LIMITED (VG) 2009-08-06 — — US disclosed
US-20090198001-A1 Use of a bridged bisanthraquinone dye derivate CLARIANT FINANCE (BVI) LIMITED (VG) 2009-08-06 — — US disclosed
Send feedback