SCHEMBL27615063

SCHEMBL27615063

O=C(Oc1ccc(Cl)cc1)c1cnccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.68
▸ MAPT P10636 2/20 0.68
▸ POLB P06746 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ TSHR P16473 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ RECQL P46063 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL21722722 0.84 POLB (0.67) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL5509020 0.83 TSHR (0.67) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL29651934 0.83 TSHR (0.67) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL10421022 0.80 MAPT (0.63) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL27634865 0.80 MAPT (0.63) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL8705860 0.79 MAPT (0.63) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL27836775 0.79 POLB (0.60) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL29214342 0.77 HTT (0.49) KMT2AMAPTPOLBKDM4ETDP1
SCHEMBL10722877 0.75 CYP1A2 (0.53) KMT2AMAPTPOLBKDM4ETSHR
SCHEMBL11267709 0.75 KDM4E (0.67) KMT2AMAPTKDM4ETDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 — — CN disclosed
CN-1620438-A 5, 6-diaryl-pyrazine-2-amide derivatives as CBI antagonists ASTRAZENECA AB (SE) 2005-05-25 — — CN disclosed
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