SCHEMBL8684065

SCHEMBL8684065

CCOC(=O)c1ccc2[nH]nc(C(CC)Nc3ccccn3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HCRTR1 O43613 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MAPK1 P28482 7/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41

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
SCHEMBL8682713 0.88 MAPK1 (0.42) KDM4EALDH1A1HTTMAPK1MAPK3
SCHEMBL8684069 0.76 RAB9A (0.46) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8682282 0.73 KDM4E (0.40) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8681986 0.73 KDM4E (0.60) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL11749690 0.70 HCRTR1 (0.58) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8684224 0.69 KDM4E (0.58) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL29925789 0.69 HCRTR1 (0.57) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL17514133 0.69 HCRTR1 (0.57) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL13596783 0.68 KDM4E (0.68) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL7416496 0.68 TTK (0.40) 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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