SCHEMBL4608485

SCHEMBL4608485

COc1[c]cc([N+](=O)[O-])c(-c2cc(Cl)ccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE7A Q13946 3/20 0.37
PDE7B Q9NP56 2/20 0.37
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL10770284 0.87 MAPK1 (0.43) TSHRMAPK1PDE7AMAPTLMNA
SCHEMBL4439375 0.82 F11 (0.33) TSHRMAPTSMN1; SMN2NPC1HPGD
SCHEMBL4608484 0.76 KCNMA1 (0.36) TSHRMAPK1PDE7APDE7BMEN1
SCHEMBL28383967 0.69 ALDH1A1 (0.41) TSHRMAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL23167082 0.68 MAPK1 (0.47) TSHRMAPK1PDE7APDE7BMAPT
SCHEMBL29764490 0.68 MAPK1 (0.59) TSHRMAPK1PDE7APDE7BMAPT
SCHEMBL165577 0.68 MAPK1 (0.59) TSHRMAPK1PDE7APDE7BMAPT
SCHEMBL17339128 0.68 TDP1 (0.42) TSHRMAPK1MAPTRAB9AVCAM1
SCHEMBL11516745 0.67 MAPK1 (0.69) TSHRMAPK1PDE7APDE7BMAPT
SCHEMBL3196901 0.67 ALDH1A1 (0.47) TSHRMAPK1MAPTLMNASMN1; SMN2

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