SCHEMBL15501075

SCHEMBL15501075

CCOc1cc2c(c(F)c1OCC)/C(=N/Br)N(CC(=O)c1cc(N3CCOCC3)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.70
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14469091 0.95 F2R (0.69) F2RMEN1KMT2AGAATP53
SCHEMBL14468892 0.92 F2R (0.82) F2RMEN1KMT2AGAATP53
SCHEMBL14449192 0.90 F2R (0.85) F2RMEN1KMT2AGAATP53
Hydrochloric Acid SCHEMBL1728795 0.90 F2R (0.84) F2RMEN1KMT2AGAATP53
SCHEMBL14468996 0.87 F2R (0.55) F2RGAAALDH1A1SMN1; SMN2
SCHEMBL14468874 0.87 F2R (0.81) F2RMEN1KMT2AGAATP53
SCHEMBL12167175 0.87 F2R (0.81) F2RMEN1KMT2AGAATP53
SCHEMBL14469006 0.85 F2R (0.71) F2RGAAL3MBTL1SMN1; SMN2
SCHEMBL12151780 0.84 F2R (0.58) F2R
SCHEMBL14468873 0.84 F2R (0.57) F2RMEN1KMT2A

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-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed