SCHEMBL8231257

SCHEMBL8231257

COCCCn1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)NCc3cccc(OC)c3)ccc21

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.89
▸ ITK Q08881 5/20 0.53
▸ EHMT2 Q96KQ7 2/20 0.53
▸ TP53 P04637 1/20 0.51
▸ MMP13 P45452 1/20 0.50
▸ EHMT1 Q9H9B1 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL1468488 0.94 ADORA2A (1.00) ADORA2AITKEHMT2TP53MMP13
SCHEMBL1470097 0.91 ADORA2A (0.93) ADORA2AITKEHMT2TP53MMP13
SCHEMBL1468370 0.91 ADORA2A (1.00) ADORA2AITKEHMT2TP53MMP13
SCHEMBL1468015 0.91 ADORA2A (1.00) ADORA2AITKEHMT2TP53MMP13
SCHEMBL1467942 0.89 ADORA2A (1.00) ADORA2AITK
SCHEMBL12744869 0.89 ADORA2A (0.86) ADORA2AITKEHMT2TP53MMP13
SCHEMBL1468397 0.88 ADORA2A (1.00) ADORA2AITK
SCHEMBL1468352 0.87 ADORA2A (0.83) ADORA2AITKEHMT2TP53MEN1
SCHEMBL8232572 0.87 ADORA2A (0.69) ADORA2AITKEHMT2EHMT1
SCHEMBL1468300 0.86 ADORA2A (1.00) ADORA2AITKEHMT2TP53MMP13

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
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 — — WO disclosed
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