SCHEMBL7743790

SCHEMBL7743790

CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.43
MAPT P10636 3/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 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
SCHEMBL6035694 0.91 MAP2K1 (0.47) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6036200 0.89 KMT2A (0.48) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6035841 0.88 PRMT5 (0.46) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6036426 0.88 MAPT (0.41) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6035733 0.84 KMT2A (0.42) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6036040 0.84 MAPT (0.56) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL7743764 0.83 CNR2 (0.44) SMN1; SMN2HPGDMGLLALDH1A1
SCHEMBL6036049 0.82 MAPT (0.43) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6035633 0.82 LMNA (0.49) SMN1; SMN2MAPTALDH1A1KMT2ADRD3
SCHEMBL6035383 0.82 LMNA (0.48) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002532414-A 2002-10-02 JP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP claimed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed