SCHEMBL9395867

SCHEMBL9395867

CCc1ccc(CCNC(=O)C(C#N)=C(C)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ F13A1 P00488 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PLAAT5 Q96KN8 4/20 0.42
▸ PLAAT4 Q9UL19 4/20 0.42
▸ PLAAT3 P53816 3/20 0.42
▸ PLAAT2 Q9NWW9 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL9395862 1.00 KDM4E (0.46) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9391023 0.90 KDM4E (0.59) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9391013 0.90 KDM4E (0.59) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9395775 0.89 PLAAT3 (0.55) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9395784 0.89 PLAAT3 (0.55) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9391078 0.87 CYP1A2 (0.58) KDM4EF13A1SMN1; SMN2NPC1RAB9A
SCHEMBL9392511 0.87 PLAAT3 (0.53) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9391085 0.87 CYP1A2 (0.58) KDM4EF13A1SMN1; SMN2NPC1RAB9A
SCHEMBL9392501 0.87 PLAAT3 (0.53) KDM4EF13A1MAPK1HPGDALDH1A1
SCHEMBL9392384 0.85 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9APLAAT5

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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