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SCHEMBL7784763

SCHEMBL7784763

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CCCCC1.Cc1cccc(CNC(=O)c2cc(Br)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 4/20 0.42
▸ TOP1 P11387 2/20 0.42
▸ CNR1 P21554 9/20 0.38
▸ CNR2 P34972 9/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ FAAH O00519 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ABHD12 Q8N2K0 2/20 0.36

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
SCHEMBL7803243 0.92 MT-CO2 (0.36) MT-CO2TOP1CNR1CNR2NPC1
SCHEMBL7784773 0.88 MAPT (0.36) MT-CO2TOP1CNR1CNR2TP53
SCHEMBL7803327 0.87 MT-CO2 (0.46) MT-CO2TOP1TP53MAPT
SCHEMBL7938698 0.86 KMT2A (0.35) MT-CO2TOP1CNR1CNR2FAAH
SCHEMBL7803258 0.83 MAPT (0.39) CNR1CNR2TP53MAPT
SCHEMBL6036132 0.82 HPGD (0.48) MT-CO2TOP1MAPT
SCHEMBL6035824 0.82 MT-CO2 (0.53) MT-CO2TOP1TP53MAPT
SCHEMBL6035324 0.82 HPGD (0.48) MT-CO2TOP1MAPT
SCHEMBL7941506 0.80 MEN1 (0.38) CNR1CNR2NPC1RAB9AFAAH
SCHEMBL6035305 0.79 RAB9A (0.49) CNR1CNR2NPC1RAB9ATP53

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-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING 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