SCHEMBL6886068

SCHEMBL6886068

CC(C)Cn1nc(-c2ccccc2)cc(C(C)(C)N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE6D O43924 2/20 0.37
▸ PDE5A O76074 2/20 0.37
▸ PDE6A P16499 2/20 0.37
▸ PDE6G P18545 2/20 0.37
▸ PDE6B P35913 2/20 0.37
▸ PDE6C P51160 2/20 0.37
▸ PDE6H Q13956 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1925547 0.89 MEN1 (0.41) KDM4ESMN1; SMN2AURKAAURKBHSD17B10
SCHEMBL6886953 0.85 ADORA3 (0.34) KDM4EMAPK1AURKAAURKBMEN1
SCHEMBL6887483 0.81 CA2 (0.36) AURKAAURKBMAPT
SCHEMBL6267740 0.81 AAK1 (0.34) AURKAAURKBMEN1MAPTKMT2A
SCHEMBL6886653 0.79 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL6888425 0.77 MEN1 (0.39) KDM4ESMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL1927369 0.76 KDM4E (0.45) KDM4ESMN1; SMN2HSD17B10MEN1LMNA
SCHEMBL1924625 0.76 KDM4E (0.43) KDM4ESMN1; SMN2AURKAAURKBHSD17B10
SCHEMBL22632825 0.75 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL1925804 0.74 DHODH (0.44) KDM4EHSD17B10MEN1KMT2AHTT

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-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 — — EP disclosed
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