SCHEMBL7784784

SCHEMBL7784784

C=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cccc(CNC(=O)c2cc(F)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.39
TOP1 P11387 2/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
AKR1C3 P42330 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5 P09917 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7784776 0.90 CA2 (0.43) CA2CA1AKR1C3MEN1KMT2A
SCHEMBL7784872 0.90 TBXA2R (0.39) MT-CO2TOP1CA2CA1AKR1C3
SCHEMBL7804341 0.87 CA2 (0.37) MT-CO2TOP1CA2CA1MEN1
SCHEMBL7938680 0.86 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL7787570 0.83 AKR1C3 (0.33) AKR1C3LMNASMN1; SMN2
SCHEMBL7794482 0.81 CA2 (0.38) MT-CO2TOP1CA2CA1AKR1C3
SCHEMBL7800486 0.81 CA2 (0.37) CA2CA1AKR1C3MEN1KMT2A
SCHEMBL6035717 0.81 CA2 (0.54) CA2CA1AKR1C3MEN1KMT2A
SCHEMBL7932216 0.80 AKR1C3 (0.31) CA2CA1AKR1C3CA12
SCHEMBL6035985 0.80 MAPT (0.49) MT-CO2AKR1C3MEN1KMT2AMAPT

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 2 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
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed