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Sugi Predict / Compounds / SCHEMBL7784773

SCHEMBL7784773

SCHEMBL7784773

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1.Cc1cccc(CNC(=O)c2cc(Cl)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ AKR1C3 P42330 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ MT-CO2 P00403 2/20 0.34
▸ TOP1 P11387 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SGMS2 Q8NHU3 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ABHD12 Q8N2K0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7938698 0.97 KMT2A (0.35) MAPTKMT2ATHRBAKR1C3SMN1; SMN2
SCHEMBL7803258 0.97 MAPT (0.39) MAPTKMT2ATHRBAKR1C3SMN1; SMN2
SCHEMBL7784763 0.88 MT-CO2 (0.42) MAPTMT-CO2TOP1TP53CNR1
SCHEMBL7912441 0.85 MAPT (0.40) MAPTKMT2ATHRBAKR1C3SMN1; SMN2
SCHEMBL7800347 0.85 MAPT (0.40) MAPTKMT2ATHRBAKR1C3SMN1; SMN2
SCHEMBL7941506 0.83 MEN1 (0.38) MAPTKMT2AAKR1C3PTGS2CNR1
SCHEMBL7803243 0.83 MT-CO2 (0.36) KMT2AAKR1C3SMN1; SMN2MT-CO2TOP1
SCHEMBL7787200 0.81 PTGS2 (0.31) AKR1C3PTGS2
SCHEMBL7938680 0.80 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL7802471 0.79 NPC1 (0.41) KMT2AAKR1C3PTGS2MT-CO2TOP1

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