SCHEMBL9116517

SCHEMBL9116517

Cc1cccc(Nc2cc(C(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 7/20 0.64
▸ P2RY4 P51582 10/20 0.64
▸ P2RY2 P41231 5/20 0.64
▸ P2RY6 Q15077 3/20 0.64
▸ MAPK1 P28482 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MCL1 Q07820 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ADORA2A P29274 1/20 0.53
▸ GNG2 P59768 2/20 0.53
▸ GNB1 P62873 2/20 0.53
▸ CDK2 P24941 2/20 0.51
▸ P2RY1 P47900 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50

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
SCHEMBL11593716 0.89 P2RY12 (0.73) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL9117074 0.86 P2RY4 (0.59) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL13213994 0.85 P2RY12 (0.75) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL791041 0.83 P2RY12 (0.61) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL791007 0.82 P2RY12 (0.60) P2RY12P2RY4MAPK1MAPTMEN1
SCHEMBL791005 0.82 P2RY12 (0.60) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL9999815 0.81 GNG2 (0.79) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL790819 0.81 GNG2 (0.77) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL11413277 0.80 P2RY4 (0.72) P2RY12P2RY4P2RY2P2RY6MAPK1
SCHEMBL13213992 0.80 P2RY12 (0.81) P2RY12P2RY4P2RY2P2RY6MAPK1

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
EP-0341842-B1 Isopropyl 1-amino-4-m-toluidinoanthraquinone-2-carboxylate, and cyan compositions for sublimation transfer record and color toner containing it MITSUI TOATSU CHEMICALS (JP) 1995-10-04 — — EP claimed
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