SCHEMBL10811570

SCHEMBL10811570

CC(C)CNc1ccc(Nc2cccc(N)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 2/20 0.55
▸ GNB1 P62873 2/20 0.55
▸ P2RY4 P51582 12/20 0.45
▸ P2RY12 Q9H244 9/20 0.44
▸ P2RY2 P41231 6/20 0.44
▸ P2RY6 Q15077 3/20 0.44
▸ PRKCA P17252 1/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ P2RY1 P47900 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL10812685 0.88 GNG2 (0.57) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL11786902 0.87 GNG2 (0.67) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL15257817 0.86 MEN1 (0.49) P2RY4P2RY12P2RY2P2RY6PRKCA
SCHEMBL10816305 0.84 GNG2 (0.58) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10812150 0.83 GNG2 (0.60) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10809844 0.82 GNG2 (0.54) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10415363 0.82 GNG2 (0.62) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL2421375 0.81 MEN1 (0.54) ALDH1A1CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL11024233 0.80 GNG2 (0.50) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10808217 0.80 GNG2 (0.62) GNG2GNB1P2RY4P2RY12P2RY2

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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