SCHEMBL4736236

SCHEMBL4736236

O=c1[nH]c2cc3cccnc3c(Cl)c2nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ XDH P47989 1/20 0.43
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ PARP1 P09874 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL4740023 0.81 ALDH1A1 (0.51) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL8873477 0.81 KDM4E (0.53) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL28696302 0.75 CCR1 (0.41) KDM4ERAB9ANPC1GRIN2DGRIN3B
SCHEMBL8872656 0.75 KDM4E (0.53) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL8872860 0.71 GRIN2D (0.51) KDM4ERAB9ANPC1KMT2AXDH
SCHEMBL8872788 0.70 KDM4E (0.53) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL8874107 0.70 RAB9A (0.53) KDM4ERAB9ANPC1HSD17B10XDH
SCHEMBL22251408 0.69 ADORA2A (0.48) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL8873758 0.69 KDM4E (0.64) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL1352743 0.69 KDM4E (0.55) KDM4ERAB9ANPC1HSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081266-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF INFECTION BY FLAVIVIRIDAE CARTA ANTONIO (IT) 2008-07-10 — — WO claimed
WO-2008081266-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF INFECTION BY FLAVIVIRIDAE CARTA ANTONIO (IT) 2008-07-10 — — WO disclosed
WO-2008081266-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF INFECTION BY FLAVIVIRIDAE CARTA ANTONIO (IT) 2008-07-10 — — WO disclosed
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