SCHEMBL10808332

SCHEMBL10808332

CNc1ccc(Nc2ccc(C)c(CN)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.49
▸ P2RY4 P51582 11/20 0.47
▸ P2RY12 Q9H244 8/20 0.47
▸ P2RY2 P41231 5/20 0.47
▸ P2RY6 Q15077 3/20 0.47
▸ P2RY1 P47900 2/20 0.47
▸ GNG2 P59768 1/20 0.46
▸ GNB1 P62873 1/20 0.46
▸ EGFR P00533 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HGF P14210 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
SCHEMBL28260570 0.80 P2RY4 (0.51) P2RY4P2RY12P2RY2P2RY6P2RY1
SCHEMBL8697325 0.79 P2RY12 (0.50) METP2RY4P2RY12P2RY2P2RY6
SCHEMBL20520387 0.79 MAPT (0.54) METP2RY4P2RY12P2RY2P2RY6
SCHEMBL12658903 0.78 L3MBTL1 (0.62) METP2RY4P2RY2P2RY1GNG2
SCHEMBL30513727 0.77 P2RY2 (0.55) P2RY4P2RY12P2RY2GNG2GNB1
SCHEMBL92477 0.77 P2RY2 (0.55) P2RY4P2RY12P2RY2GNG2GNB1
SCHEMBL29377518 0.77 P2RY2 (0.55) P2RY4P2RY12P2RY2GNG2GNB1
SCHEMBL717132 0.77 P2RY4 (0.58) P2RY4P2RY12P2RY2P2RY6GNG2
SCHEMBL30508524 0.77 P2RY4 (0.58) P2RY4P2RY12P2RY2P2RY6GNG2
SCHEMBL29448193 0.77 P2RY4 (0.58) P2RY4P2RY12P2RY2P2RY6GNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 — — US disclosed
EP-0022209-B1 FLUOR-TRIAZINE DYESTUFFS AND THEIR USE IN DYEING CELLULOSIC FIBROUS MATERIALS BAYER AG (DE) 1985-04-17 — — EP disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 — — US disclosed
EP-0019728-B1 UTILISATION OF REACTIVE DYESTUFFS IN DYEING AND PRINTING BLENDED FABRICS POLYESTER/COTTON BAYER AG (DE) 1983-01-12 — — EP disclosed
EP-0022209-A2 Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials BAYER AG (DE) 1981-01-14 — — EP disclosed
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