SCHEMBL8682283

SCHEMBL8682283

CCOC(=O)c1ccc2[nH]nc(CCCN(C(=O)OC(C)(C)C)c3ccccn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 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
SCHEMBL8682545 0.90 F2 (0.37) POLBMAPK1OPRM1F2
SCHEMBL16607506 0.81 NPC1 (0.41) KDM4EALDH1A1MEN1RAB9AKMT2A
SCHEMBL8682282 0.78 KDM4E (0.40) KDM4EALDH1A1HCRTR1MEN1RAB9A
SCHEMBL8684069 0.76 RAB9A (0.46) KDM4EALDH1A1HCRTR1MEN1RAB9A
SCHEMBL26574069 0.75 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9485102 0.73 HCRTR1 (0.44) KDM4EALDH1A1HCRTR1MEN1RAB9A
SCHEMBL9485199 0.73 HCRTR1 (0.50) KDM4EALDH1A1HCRTR1MEN1RAB9A
SCHEMBL6302650 0.71 POLB (0.43) MEN1KMT2ASMN1; SMN2POLBOPRM1
SCHEMBL8486574 0.71 POLB (0.48) MEN1KMT2ASMN1; SMN2POLBOPRM1
SCHEMBL9485928 0.71 HCRTR1 (0.52) KDM4EALDH1A1HCRTR1MEN1RAB9A

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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