SCHEMBL6777439

SCHEMBL6777439

COc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)c2cccc(N3CCN(C)CC3)c2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 6/20 0.59
MAPK14 Q16539 2/20 0.58
LCK P06239 1/20 0.58
KDR P35968 1/20 0.58
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
KMT2A Q03164 4/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
POLB P06746 2/20 0.52
HTR1A P08908 3/20 0.52
HTR1D P28221 3/20 0.52
HTR1B P28222 3/20 0.52
HTR2C P28335 2/20 0.52

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
SCHEMBL11753819 0.86 BRPF1 (0.70) BRPF1MAPK14LCKKDRCHRM5
SCHEMBL6781323 0.81 TSHR (0.54) MAPK14KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL27527545 0.80 BRAF (0.59) MAPK14LCKKDRCHRM5CHRM1
SCHEMBL6777434 0.79 HPGDS (0.64) MAPK14LCKKDRKMT2AMAPK1
SCHEMBL6782017 0.79 ALDH1A1 (0.60) MAPK14KMT2AMEN1SMN1; SMN2USP2
SCHEMBL7600252 0.77 IDH2 (0.53) MAPK14CHRM1KMT2AMEN1SMN1; SMN2
SCHEMBL11752282 0.76 BRPF1 (0.57) BRPF1CHRM5CHRM1CHRM3KMT2A
Hydrochloric Acid SCHEMBL11753405 0.75 BRPF1 (0.56) BRPF1CHRM5CHRM1CHRM3KMT2A
SCHEMBL5910645 0.74 MAPT (0.80) KMT2AMAPK1SMN1; SMN2USP2POLB
SCHEMBL2951290 0.73 MAPK14 (1.00) MAPK14LCKKDRKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686467-B2 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TUMOUR NECROSIS FACTOR (HEREINAFTER TNF), FOR EXAMPLE TNF ALPHA , AND VARIOUS MEMBERS OF THE INTERLEUKIN (HEREINAFTER IL) FAMILY, FOR EXAMPLE IL-1, IL-6 AND IL-8 ZENECA LIMITED (GB) 2004-02-03 US claimed