SCHEMBL7276174

SCHEMBL7276174

O=C1CCC(c2ccc(N3CCN(C(=S)NC(=O)c4ccccc4)CC3)c([N+](=O)[O-])c2)=NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.51
ALDH1A1 P00352 7/20 0.50
HTT P42858 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALOX12 P18054 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 6/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
OPRK1 P41145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7294835 0.85 MAPT (0.51) CCR6ALDH1A1HTTTDP1L3MBTL1
SCHEMBL7267124 0.82 PDE3B (0.41) ALDH1A1HTTL3MBTL1GAAMAPT
SCHEMBL7267606 0.77 MAPT (0.60) ALDH1A1HTTTDP1L3MBTL1CYP2C9
SCHEMBL7267653 0.76 PDE4A (0.45) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL10760147 0.75 MAPT (0.53) ALDH1A1TDP1L3MBTL1GAAMAPT
SCHEMBL10669006 0.68 EPHX1 (0.56) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL11703472 0.68 PDE3B (0.49) ALDH1A1L3MBTL1MAPTTP53SMN1; SMN2
SCHEMBL2153289 0.67 CCR6 (1.00) CCR6ALDH1A1HTTTDP1L3MBTL1
SCHEMBL2153976 0.67 MAPT (0.70) CCR6ALDH1A1HTTTDP1L3MBTL1
SCHEMBL7273670 0.67 PDE3B (0.50) MAPTLMNASMN1; SMN2KCNH2

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-0339208-B1 6-Oxopyridazine derivatives, process for their preparation and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1996-02-07 EP disclosed
US-4968683-A INOTROPIC, CARDIOTONIC HEUMANN PHARMA GMBH & CO. (DE) 1990-11-06 US disclosed
EP-0339208-A1 6-Oxopyridazine derivatives, process for their preparation and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-11-02 EP disclosed