SCHEMBL18743336

SCHEMBL18743336

C=C(C)N1CCC(c2cc(C(=O)OCC)nc3c2c(C)nn3-c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CFTR P13569 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KHK P50053 2/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL18694232 0.94 KDM4E (0.59) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694396 0.89 HPGD (0.60) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18717651 0.87 KDM4E (0.56) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694144 0.86 KHK (0.56) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694794 0.85 KDM4E (0.51) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694424 0.82 CFTR (0.55) KDM4EHSD17B10HPGDALDH1A1CFTR
SCHEMBL18692826 0.77 KMT2A (0.57) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694035 0.77 KDM4E (0.51) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694031 0.77 CFTR (0.59) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL18694078 0.77 KDM4E (0.61) KDM4EHSD17B10HPGDKMT2AMEN1

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-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
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