SCHEMBL7872136

SCHEMBL7872136

CCCCOc1ccc([N+](=O)[O-])cc1Cl.N#CCOc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDE7A Q13946 1/20 0.45
CYP19A1 P11511 4/20 0.44
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7786795 0.92 MAPT (0.53) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6816060 0.90 MAPT (0.73) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL4033049 0.90 MAPT (0.54) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL12190083 0.84 MAPT (0.70) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL12189817 0.84 MAPT (0.70) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6815842 0.83 MAPT (0.71) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL10036380 0.79 MAPT (0.58) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6816187 0.77 MAPT (0.79) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL5171515 0.77 MAPT (0.58) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL17538478 0.77 MAPT (0.70) MAPTLMNAALDH1A1KMT2ANPSR1

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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed