SCHEMBL7785263

SCHEMBL7785263

C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.34
MAP2K1 Q02750 3/20 0.33
MAP2K2 P36507 2/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACVR1B P36896 2/20 0.32
TGFBR1 P36897 2/20 0.32
ACVRL1 P37023 2/20 0.32
MT-CO2 P00403 1/20 0.32
TOP1 P11387 1/20 0.32
TACR1 P25103 1/20 0.32
MAPK3 P27361 1/20 0.32
POLB P06746 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7802481 0.90 MEN1 (0.35) KCNA3MAP2K1MAP2K2HPGDCYP1A2
SCHEMBL7800395 0.90 HPGD (0.40) KCNA3HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7787480 0.85 MAP2K1 (0.44) MAP2K1MAP2K2HPGDHSD17B10CYP3A4
SCHEMBL7802467 0.84 ALDH1A1 (0.38) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL7943547 0.81 ALDH1A1 (0.35) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL7938680 0.79 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL7803243 0.79 MT-CO2 (0.36) MT-CO2TOP1TACR1TP53FAAH
SCHEMBL7800490 0.78 MAP2K1 (0.50) KCNA3MAP2K1MAP2K2HPGDHSD17B10
SCHEMBL7941487 0.78 ALDH1A1 (0.33) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL7787200 0.78 PTGS2 (0.31)

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-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed