SCHEMBL16512869

SCHEMBL16512869

Clc1c2cccnc2nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KAT2B Q92831 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MPO P05164 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL28792817 0.76 ESR2 (0.74) ESR2KDM4EMAPTNPC1RAB9A
SCHEMBL29501081 0.71 IRAK4 (0.39) KDM4EMAPT
SCHEMBL11730545 0.71 RAB9A (0.42) ESR2KDM4EADORA3MAPTNPC1
SCHEMBL16512870 0.69 BCAT1 (0.41) ESR2KDM4EMAPTNPC1RAB9A
SCHEMBL16499203 0.69 L3MBTL1 (0.46) ESR2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1638692 0.69 ALOX15 (0.42) KDM4ERAB9ASMN1; SMN2GAALMNA
SCHEMBL31691548 0.68 ESR2 (0.46) ESR2KDM4EMAPTNPC1RAB9A
SCHEMBL16512864 0.67 ESR2 (0.42) ESR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20413677 0.67 L3MBTL1 (0.56) KDM4ESMN1; SMN2LDHAALDH1A1MAPK1
SCHEMBL1747314 0.67 KDM4E (0.47) KDM4EADORA3MAPTNPC1RAB9A

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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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