SCHEMBL10364153

SCHEMBL10364153

OCCn1c(-c2ccc(C=Cc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ GAA P10253 3/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ KDM4E B2RXH2 10/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ LMNA P02545 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
SCHEMBL23383209 0.83 KDM4E (0.51) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL27154650 0.79 KDM4E (0.61) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL8388879 0.78 NPC1 (0.70) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL8931082 0.78 NPC1 (0.70) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL30887130 0.76 KDM4E (0.53) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL6387107 0.75 HPGD (0.66) GAAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1193924 0.72 NPC1 (0.71) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL1193922 0.72 NPC1 (0.71) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL23873951 0.71 ESR1 (0.56) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL5517096 0.70 KDM4E (0.49) NPC1RAB9AGAAKDM4EALDH1A1

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-0151884-B1 LIQUID DETERGENT COMPOSITIONS Albright & Wilson Limited (GB) 1990-04-18 — — EP disclosed
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