SCHEMBL8682282

SCHEMBL8682282

CCOC(=O)c1ccc2[nH]nc(C(CC)N(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
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.37
▸ 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
SCHEMBL8682542 0.91 TTK (0.35) MEN1KMT2APOLBMAPK1MAPK8
SCHEMBL8682283 0.78 KDM4E (0.40) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL8684065 0.73 RAB9A (0.47) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL8681986 0.68 KDM4E (0.60) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL11749690 0.68 HCRTR1 (0.58) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL8682545 0.67 F2 (0.37) POLBMAPK1
SCHEMBL3490595 0.66 SYK (0.52) JMJD6
SCHEMBL16607506 0.66 NPC1 (0.41) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL17514133 0.65 HCRTR1 (0.57) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL8684224 0.65 KDM4E (0.58) KDM4EMEN1KMT2ARAB9AALDH1A1

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
Send feedback