SCHEMBL10816305

SCHEMBL10816305

CC(C)Nc1ccc(Nc2cccc(N)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 2/20 0.58
▸ GNB1 P62873 2/20 0.58
▸ P2RY4 P51582 12/20 0.46
▸ P2RY12 Q9H244 9/20 0.46
▸ P2RY2 P41231 6/20 0.46
▸ P2RY6 Q15077 3/20 0.46
▸ CDK2 P24941 2/20 0.44
▸ P2RY1 P47900 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL11786902 0.90 GNG2 (0.67) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL11801595 0.90 GNG2 (0.51) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10809844 0.88 GNG2 (0.54) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10812150 0.86 GNG2 (0.60) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10415363 0.85 GNG2 (0.62) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10809992 0.85 GNG2 (0.54) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL14092342 0.84 CDC25A (0.49) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL10811570 0.84 GNG2 (0.55) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10812685 0.83 GNG2 (0.57) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL10808217 0.83 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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