SCHEMBL6779616

SCHEMBL6779616

CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
KDM4E B2RXH2 6/20 0.67
TDP1 Q9NUW8 4/20 0.67
ALOX12 P18054 1/20 0.67
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.62
ALOX15 P16050 2/20 0.61
POLB P06746 1/20 0.61
APEX1 P27695 1/20 0.61
TP53 P04637 1/20 0.61
GAA P10253 1/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.58
RXFP1 Q9HBX9 2/20 0.55
HIF1A Q16665 1/20 0.54

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
SCHEMBL6779502 0.91 MEN1 (0.82) MEN1KMT2AKDM4ETDP1HTT
SCHEMBL6776780 0.89 RXFP1 (0.66) MEN1KMT2AKDM4ETDP1ALOX12
SCHEMBL6781053 0.88 MEN1 (0.79) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6785309 0.88 MEN1 (0.79) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6779603 0.87 KDM4E (0.64) MEN1KMT2AKDM4ETDP1ALOX12
SCHEMBL6781607 0.87 MEN1 (1.00) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6781375 0.86 KDM4E (0.60) MEN1KMT2AKDM4ETDP1ALOX12
SCHEMBL6785134 0.86 MEN1 (0.65) MEN1KMT2AKDM4ETDP1ALOX12
SCHEMBL6782138 0.85 KDM4E (0.59) MEN1KMT2AKDM4ETDP1ALOX12
SCHEMBL6777321 0.84 TDP1 (0.62) MEN1KMT2AKDM4ETDP1ALOX12

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-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US claimed