SCHEMBL11049227

SCHEMBL11049227

Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SRD5A2 P31213 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
GSK3B P49841 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR4A1 P22736 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL11006723 0.87 ALDH1A1 (0.50) KMT2ASRD5A2MAPK1HPGDCES2
SCHEMBL11052447 0.84 LTA4H (0.40) KMT2AMAPK1HPGDCES2CES1
SCHEMBL11042726 0.77 SRD5A2 (0.44) KMT2ASRD5A2MAPK1HPGDCES2
SCHEMBL11044558 0.73 MAP2K1 (0.40) KMT2AHPGDALOX15TSHRPOLB
SCHEMBL11181578 0.70 PDE4A (0.67) KMT2ASRD5A2MAPK1HPGDCES2
SCHEMBL2915910 0.69 GPR35 (0.46) KMT2AHPGDALOX15TSHRPOLB
SCHEMBL9787361 0.69 PDE4A (0.45) KMT2ASRD5A2MAPK1HPGDCES2
SCHEMBL8604431 0.69 MAPT (0.46) KMT2ASRD5A2HPGDNPSR1PTGS2
SCHEMBL7678013 0.68 HPGD (0.45) SRD5A2MAPK1HPGDALOX15TSHR
SCHEMBL11052444 0.68 SRD5A2 (0.46) KMT2ASRD5A2MAPK1HPGDCES2

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
US-4456759-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, AND MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1984-06-26 US disclosed
US-4347185-A DECARBOXYLATION OF THE 1,1-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed