SCHEMBL9391023

SCHEMBL9391023

CC(O)=C(C#N)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ F13A1 P00488 1/20 0.59
▸ PLAAT3 P53816 1/20 0.51
▸ PLAAT5 Q96KN8 1/20 0.51
▸ PLAAT2 Q9NWW9 1/20 0.51
▸ PLAAT4 Q9UL19 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ ESRRB O95718 2/20 0.46
▸ ESRRG P62508 2/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL9391013 1.00 KDM4E (0.59) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9395775 0.90 PLAAT3 (0.55) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9395867 0.90 KDM4E (0.46) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9395784 0.90 PLAAT3 (0.55) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9395862 0.90 KDM4E (0.46) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9392501 0.89 PLAAT3 (0.53) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9391085 0.89 CYP1A2 (0.58) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9391078 0.89 CYP1A2 (0.58) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9392511 0.89 PLAAT3 (0.53) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL9392384 0.86 SMN1; SMN2 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO disclosed
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