SCHEMBL8683594

SCHEMBL8683594

CCOC(=O)c1ccc2[nH]nc(-c3ccccc3)c2c1CCCNc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ TTK P33981 1/20 0.39

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
SCHEMBL8684069 0.73 RAB9A (0.46) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL5971733 0.73 HPGDS (0.55) JAK2JAK3ALDH1A1KDM4ELMNA
SCHEMBL11954569 0.67 TOP2A (0.57) ALDH1A1LMNAHPGDTDP1L3MBTL1
SCHEMBL8681986 0.66 KDM4E (0.60) ALDH1A1KDM4EHPGDHPGDSMAPT
SCHEMBL7377874 0.66 TOP2A (0.53) ALDH1A1LMNAHPGDTDP1L3MBTL1
SCHEMBL2564440 0.65 ALDH1A1 (0.60) JAK2JAK3ALDH1A1LMNAL3MBTL1
SCHEMBL15714331 0.65 TOP2A (0.52) ALDH1A1LMNAHPGDTDP1L3MBTL1
SCHEMBL8682718 0.64 MAPK1 (0.44) JAK2CYP1A2MAPK1
SCHEMBL648130 0.64 HPGDS (0.55) JAK2JAK3ALDH1A1KDM4ELMNA
SCHEMBL1602631 0.64 TOP2A (0.56) ALDH1A1KDM4ELMNACYP1A2CYP2C19

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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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