SCHEMBL13075824

SCHEMBL13075824

COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.63
▸ KDM4E B2RXH2 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MOK Q9UQ07 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ADRB2 P07550 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
SCHEMBL12726255 0.93 HRH3 (0.55) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL12726270 0.92 HRH3 (0.54) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL13075438 0.88 HRH3 (0.48) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL15107364 0.87 KDM4E (0.58) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL13075440 0.84 KDM4E (0.54) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL13075823 0.84 KDM4E (0.56) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL12726189 0.84 KDM4E (0.59) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL13075427 0.83 KDM4E (0.57) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL12726052 0.83 HRH3 (0.59) HRH3KDM4EKMT2AALDH1A1MAPT
SCHEMBL12726220 0.82 ALDH1A1 (0.57) HRH3KDM4EKMT2AALDH1A1MAPT

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-2010129620-A1 IMIDAZO [ 1, 2 -A] PYRIDIN-2 -YL-PHENYL DERIVATIVES TO BE USED IN CANCER TREATMENT ALLA CHEM, LLC (US) 2010-11-11 — — WO disclosed
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