SCHEMBL7743764

SCHEMBL7743764

CCCCCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NAAA Q02083 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
IDO1 P14902 2/20 0.41
POLB P06746 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 4/20 0.39
MGLL Q99685 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6036058 0.90 MAP2K1 (0.50) ALDH1A1KDM4EIDO1MAP2K2MAP2K1
SCHEMBL6035378 0.87 MAP2K1 (0.48) ALDH1A1KDM4EIDO1MAP2K2MAP2K1
SCHEMBL6035643 0.87 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2IDO1MAP2K2
SCHEMBL6035308 0.85 LMNA (0.47) ALDH1A1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL7743790 0.83 TBXA2R (0.48) ALDH1A1SMN1; SMN2HPGDMGLL
SCHEMBL6035840 0.83 LMNA (0.48) ALDH1A1LMNATSHR
SCHEMBL6035297 0.83 CYP1A2 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2IDO1
SCHEMBL6036070 0.82 LMNA (0.47) ALDH1A1KDM4ELMNAMAP2K2MAP2K1
SCHEMBL6035687 0.82 CYP1A2 (0.43) ALDH1A1KDM4ESMN1; SMN2IDO1MAP2K2
SCHEMBL6036408 0.81 CYP1A2 (0.49) LMNA

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 3 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
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed