SCHEMBL4609725

SCHEMBL4609725

CCc1[c]cc([N+](=O)[O-])c(-c2cc(Cl)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CCR2 P41597 2/20 0.35
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
PPIA P62937 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL3686895 0.87 TSHR (0.41) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL4609724 0.75 ALDH1A1 (0.41) TSHRMAPK1MAPTTDP1LMNA
SCHEMBL15063722 0.71 HTT (0.39) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL400340 0.69 TSHR (0.60) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL30976988 0.69 TSHR (0.60) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL11516745 0.68 MAPK1 (0.69) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL15063840 0.68 PDK1 (0.43) TSHRMAPTTDP1L3MBTL1LMNA
SCHEMBL10770284 0.68 MAPK1 (0.43) TSHRMAPK1MAPTTDP1S1PR4
SCHEMBL20383160 0.66 CYP3A4 (0.56) MAPTLMNAPOLBALDH1A1HSD11B1
Methyl Alcohol SCHEMBL28263562 0.66 TSHR (0.56) TSHRMAPK1MAPTTDP1L3MBTL1

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-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed