SCHEMBL19043106

SCHEMBL19043106

C/C(C=O)=C\C=C\c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.44
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ 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
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 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
SCHEMBL1435751 0.77 MEN1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1435755 0.77 MEN1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27320824 0.77 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL707776 0.76 TDP1 (0.51) NPC1RAB9AMEN1KMT2AATM
SCHEMBL707775 0.76 TDP1 (0.51) NPC1RAB9AMEN1KMT2AATM
SCHEMBL721182 0.74 MEN1 (0.79) NPC1RAB9AMEN1KMT2AATM
Methyl Alcohol SCHEMBL28478479 0.74 NPC1 (0.89) NPC1RAB9AMEN1KMT2AATM
SCHEMBL721181 0.74 MEN1 (0.79) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5599268 0.74 ALDH1A1 (0.59) TDP1ALDH1A1TSHRKDM4EMAPT
SCHEMBL5599265 0.74 ALDH1A1 (0.59) TDP1ALDH1A1TSHRKDM4EMAPT

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
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 — — EP disclosed
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