SCHEMBL7802500

SCHEMBL7802500

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 1/20 0.43
MAP2K1 Q02750 4/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL6036035 0.94 MEN1 (0.48) LRRK2MEN1KMT2ATDP1PTGS2
SCHEMBL6035704 0.94 PTGS2 (0.48) LRRK2MEN1KMT2ATDP1PTGS2
SCHEMBL7802471 0.89 NPC1 (0.41) LRRK2MEN1KMT2ATDP1PTGS2
SCHEMBL5395241 0.88 MAP2K1 (0.53) LRRK2MEN1KMT2ATDP1PTGS2
SCHEMBL5389864 0.88 MAP2K1 (0.56) MEN1KMT2ATDP1PTGS2MAP2K1
SCHEMBL7780221 0.87 MAP2K1 (0.46) MEN1KMT2ATDP1PTGS2MAP2K1
SCHEMBL5378884 0.87 PTGS2 (0.52) MEN1KMT2ATDP1PTGS2MAP2K1
SCHEMBL7941506 0.84 MEN1 (0.38) LRRK2MEN1KMT2ATDP1PTGS2
SCHEMBL6035984 0.79 NPC1 (0.53) MEN1KMT2APTGS2MAP2K1NPC1
SCHEMBL7787193 0.79 PTGS2 (0.42) LRRK2MEN1KMT2APTGS2MAP2K1

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