SCHEMBL8684069

SCHEMBL8684069

CCOC(=O)c1ccc2[nH]nc(CCCNc3ccccn3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HCRTR1 O43613 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPK1 P28482 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40

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
SCHEMBL8682718 0.86 MAPK1 (0.44) MAPK1MAPK3
SCHEMBL8682336 0.80 PTGIR (0.46) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL8682497 0.80 KDM4E (0.39) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL8684065 0.76 RAB9A (0.47) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL9485928 0.76 HCRTR1 (0.52) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL8682283 0.76 KDM4E (0.40) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL8682632 0.75 ALDH1A1 (0.56) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL9485199 0.74 HCRTR1 (0.50) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL8683594 0.73 JAK2 (0.43) RAB9ANPC1ALDH1A1KDM4EMEN1
Oxalic Acid SCHEMBL9484406 0.73 HCRTR1 (0.49) RAB9ANPC1ALDH1A1KDM4EMEN1

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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