SCHEMBL6998965

SCHEMBL6998965

CSc1ccc(C(=O)Cc2ccccc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 2/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRD5A2 P31213 2/20 0.46
GRM1 Q13255 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
STS P08842 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL6721408 0.82 MAPT (0.47) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL7004593 0.82 L3MBTL1 (0.55) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL27883272 0.80 ATM (0.42) L3MBTL1MAPTRAB9AKDM4ENPC1
SCHEMBL15906555 0.78 HPGD (0.58) L3MBTL1MAPTRAB9AKDM4ENPC1
SCHEMBL27955217 0.77 MAPT (0.56) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL3939694 0.74 MAPT (0.61) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL2712115 0.74 ALDH1A1 (0.42) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL15100944 0.74 MAPT (0.60) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL4969713 0.74 MAPT (0.51) L3MBTL1MAPTRAB9APLAUKDM4E
SCHEMBL5392408 0.73 THRB (0.46) MAPTKDM4EGAAALDH1A1HPGD

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-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed