SCHEMBL7803258

SCHEMBL7803258

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1.Cc1cccc(CNC(=O)c2cc(Cl)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
AKR1C3 P42330 3/20 0.38
PTGS2 P35354 1/20 0.37
AKR1B1 P15121 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7784773 0.97 MAPT (0.36) MAPTKMT2ATHRBAKR1C3PTGS2
SCHEMBL7938698 0.94 KMT2A (0.35) MAPTKMT2ATHRBAKR1C3PTGS2
SCHEMBL7912441 0.88 MAPT (0.40) MAPTKMT2ATHRBAKR1C3PTGS2
SCHEMBL7800347 0.88 MAPT (0.40) MAPTKMT2ATHRBAKR1C3PTGS2
SCHEMBL7784763 0.83 MT-CO2 (0.42) MAPTTP53CNR1CNR2
SCHEMBL7803243 0.79 MT-CO2 (0.36) KMT2AAKR1C3TP53SMN1; SMN2CNR1
SCHEMBL7941506 0.79 MEN1 (0.38) MAPTKMT2AAKR1C3PTGS2MEN1
SCHEMBL7787200 0.78 PTGS2 (0.31) AKR1C3PTGS2
SCHEMBL6035985 0.77 MAPT (0.49) MAPTKMT2AAKR1C3MEN1ALDH1A1
SCHEMBL6035984 0.77 NPC1 (0.53) MAPTKMT2AAKR1C3PTGS2SMN1; 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 4 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
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed