SCHEMBL7787480

SCHEMBL7787480

Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.44
MAP2K2 P36507 3/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MRGPRX1 Q96LB2 2/20 0.40
TGFBR1 P36897 3/20 0.39
ACVR1B P36896 2/20 0.39
ACVRL1 P37023 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CRHR1 P34998 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MT-CO2 P00403 2/20 0.38
TOP1 P11387 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.37

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
SCHEMBL7800490 0.93 MAP2K1 (0.50) MAP2K1MAP2K2HPGDHSD17B10MRGPRX1
SCHEMBL5676551 0.87 HPGD (0.55) MAP2K1MAP2K2HPGDHSD17B10TGFBR1
SCHEMBL6035296 0.87 ALDH1A1 (0.48) MAP2K1HPGDTGFBR1ACVR1BACVRL1
SCHEMBL6035294 0.87 HPGD (0.49) MAP2K1HPGDTGFBR1MEN1KMT2A
SCHEMBL6035385 0.87 MAP2K1 (0.53) MAP2K1MAP2K2HPGDHSD17B10MEN1
SCHEMBL7941506 0.86 MEN1 (0.38) MAP2K1MAP2K2HPGDHSD17B10MRGPRX1
SCHEMBL7785263 0.85 KCNA3 (0.34) MAP2K1MAP2K2HPGDHSD17B10MRGPRX1
SCHEMBL6035201 0.82 ATM (0.50) HPGDMEN1KMT2ATDP1ALDH1A1
SCHEMBL6035305 0.82 RAB9A (0.49) HPGDMEN1KMT2ALMNACNR1
SCHEMBL6036036 0.81 CDK1 (0.55) MAP2K1MAP2K2HPGDHSD17B10MEN1

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