SCHEMBL4418772

SCHEMBL4418772

O=C(NCc1cccnc1)c1ccno1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
TSHR P16473 3/20 0.60
RECQL P46063 1/20 0.59
LMNA P02545 4/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HTT P42858 3/20 0.58
USP2 O75604 1/20 0.58
MMP13 P45452 1/20 0.58
HPGD P15428 1/20 0.57
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL4411701 0.81 HSD17B10 (0.59) LMNAHTTMMP13SMN1; SMN2ALDH1A1
SCHEMBL15319936 0.81 ALDH1A1 (0.73) NPSR1TSHRRECQLLMNANFKB1
SCHEMBL7082686 0.78 TSHR (0.73) NPSR1TSHRRECQLLMNAHTT
SCHEMBL9130703 0.77 FES (0.81) NPSR1RECQLKMT2ASMN1; SMN2PKM
SCHEMBL29460250 0.77 FES (0.81) NPSR1RECQLKMT2ASMN1; SMN2PKM
SCHEMBL1570163 0.77 ACE2 (0.48) NPSR1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1161997 0.77 NAMPT (0.75) LMNAHTTUSP2MMP13KMT2A
SCHEMBL1568226 0.77 ALDH1A1 (0.72) NPSR1TSHRRECQLLMNAHTT
SCHEMBL5783915 0.77 HTT (0.71) NPSR1TSHRLMNAHTTMMP13
SCHEMBL10403403 0.76 RECQL (0.72) NPSR1TSHRRECQLLMNAHTT

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed