SCHEMBL5132986

SCHEMBL5132986

CCNCCn1c(Cc2cccnc2)nc2[nH]c(=O)n(CCCCCc3ccc(N)cc3)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ RGS12 O14924 3/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PLA2G7 Q13093 6/20 0.34

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
SCHEMBL1333529 0.79 ADORA3 (0.43) KMT2AHTTSMN1; SMN2ADORA3ADORA2B
SCHEMBL1333438 0.76 ADORA1 (0.47) USP2MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4178845 0.76 ADORA1 (0.47) USP2MEN1KMT2AMAPTHTT
SCHEMBL1333021 0.75 ADORA1 (0.48) USP2MEN1KMT2APOLBMAPT
SCHEMBL4185948 0.75 ADORA1 (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4416340 0.73 PLA2G7 (0.39) USP2MEN1KMT2AMAPTRGS12
SCHEMBL1334398 0.72 ADORA1 (0.46) USP2MEN1KMT2APOLBMAPT
SCHEMBL1333189 0.70 ADORA3 (0.40) KMT2ASMN1; SMN2ADORA3ADORA2BTSHR
SCHEMBL1334339 0.69 ADORA2B (0.48) KMT2AHTTSMN1; SMN2ADORA3ADORA2B
SCHEMBL1332551 0.68 ADORA2B (0.44) USP2KMT2AMAPTSMN1; SMN2ALDH1A1

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
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 — — EP disclosed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 — — EP disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 — — WO disclosed
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