SCHEMBL7803243

SCHEMBL7803243

Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)N(C)c1ccccc1.Cc1cccc(CNC(=O)c2cc(Br)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 4/20 0.36
TOP1 P11387 2/20 0.36
TP53 P04637 2/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
FAAH O00519 3/20 0.34
TACR1 P25103 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AKR1C3 P42330 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7784763 0.92 MT-CO2 (0.42) MT-CO2TOP1TP53CNR1CNR2
SCHEMBL7938680 0.84 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL7784773 0.83 MAPT (0.36) MT-CO2TOP1TP53CNR1CNR2
SCHEMBL7803327 0.81 MT-CO2 (0.46) MT-CO2TOP1TP53KMT2A
SCHEMBL7938698 0.81 KMT2A (0.35) MT-CO2TOP1TP53CNR1CNR2
SCHEMBL7803258 0.79 MAPT (0.39) TP53CNR1CNR2AKR1C3KMT2A
SCHEMBL7787500 0.79 MAPT (0.40) TP53AKR1C3KMT2ASMN1; SMN2
SCHEMBL7785263 0.79 KCNA3 (0.34) MT-CO2TOP1TP53CNR1CNR2
SCHEMBL7802481 0.78 MEN1 (0.35) MT-CO2TOP1TP53CNR1NPC1
SCHEMBL7943547 0.78 ALDH1A1 (0.35) TP53NPC1RAB9AKMT2ATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed