SCHEMBL8682497

SCHEMBL8682497

CCOC(=O)c1ccc2[nH]nc(CCCNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37

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 0.80 RAB9A (0.46) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL8682336 0.74 PTGIR (0.46) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL8683634 0.72 MAPK1 (0.34) MAPK1MAPK3
SCHEMBL8682632 0.71 ALDH1A1 (0.56) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL9485928 0.70 HCRTR1 (0.52) KDM4EALDH1A1HCRTR1MEN1MAPT
Oxalic Acid SCHEMBL9484406 0.69 HCRTR1 (0.49) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL8681986 0.69 KDM4E (0.60) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL9485102 0.68 HCRTR1 (0.44) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL9485199 0.68 HCRTR1 (0.50) KDM4EALDH1A1HCRTR1MEN1MAPT
SCHEMBL8682718 0.68 MAPK1 (0.44) MAPK1MAPK3

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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