SCHEMBL7784769

SCHEMBL7784769

Cc1cc(I)ccc1Nc1cc(Cl)ccc1C(=O)OC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.43
KCNMA1 Q12791 1/20 0.42
MAPT P10636 8/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDR P35968 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7784767 0.88 IDO1 (0.51) NHERF1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5678051 0.79 MAPT (0.60) MAPTKMT2AMEN1LMNANPC1
SCHEMBL7800476 0.79 MAPT (0.46) KCNMA1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7897611 0.78 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5677711 0.78 RAB9A (0.55) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6036299 0.78 IDO1 (0.56) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5400271 0.76 RAB9A (0.46) MAPTKMT2ASMN1; SMN2LMNANPC1
SCHEMBL7897614 0.76 ALDH1A1 (0.49) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7800477 0.76 MYC (0.46) MAPTKMT2AMEN1ANO1RORC
SCHEMBL7787206 0.75 MAP2K1 (0.41) KMT2AMEN1LMNATDP1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed