SCHEMBL7802467

SCHEMBL7802467

Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.34
GMNN O75496 1/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
LYN P07948 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 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
SCHEMBL7943547 0.96 ALDH1A1 (0.35) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL7941487 0.93 ALDH1A1 (0.33) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL7780234 0.86 RORC (0.37) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL7787475 0.85 KMT2A (0.38) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL7785263 0.84 KCNA3 (0.34) ALDH1A1TP53CYP1A2CYP3A4CYP2C19
SCHEMBL7804324 0.82 RORC (0.34) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL6035691 0.81 ATM (0.48) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL6036200 0.79 KMT2A (0.48) ALDH1A1MYCMAXKMT2AMEN1
SCHEMBL6035228 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL7787500 0.78 MAPT (0.40) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed