SCHEMBL6231367

SCHEMBL6231367

O=Cc1nc2c([nH]1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APAF1 O14727 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL31092489 0.68 KDM4E (0.55) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL5225539 0.68 CYP2A6 (0.40) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL5244308 0.67 NPY5R (0.59) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL2293985 0.66 NPY5R (0.40) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4692166 0.65 ALDH1A1 (0.49) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4696051 0.64 NPY5R (0.38) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL19044532 0.61 KDM4E (0.43) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL38662232 0.61 TGFBR1 (0.49) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL5244989 0.60 NPY5R (0.65) NPY5RL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL19537629 0.59 ALDH1A1 (0.48) NPY5RL3MBTL1ALDH1A1HPGDKDM4E

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
EP-1509528-A2 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-03-02 EP disclosed
WO-2003099823-A2 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO disclosed