SCHEMBL8901808

SCHEMBL8901808

O=c1c(Cl)c(-c2ccc(F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.48
PTGS2 P35354 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 5/20 0.37
MAPT P10636 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
MGLL Q99685 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9766788 0.78 MAPT (0.52) TYMPPTGS2ALDH1A1MAPK14MAPT
SCHEMBL9760880 0.76 HTT (0.59) TYMPMEN1KMT2AALDH1A1MAPT
SCHEMBL2202541 0.73 SERPINE1 (0.42) TYMPKDM4EALDH1A1MAPK14MAPT
SCHEMBL19165324 0.72 TYMP (0.41) TYMPPTGS2MAPK14MAPT
SCHEMBL10671387 0.72 PTGS2 (0.49) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10463403 0.72 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL9262778 0.71 TYMP (0.51) TYMPPTGS2MEN1KMT2A
SCHEMBL13290009 0.71 SERPINE1 (0.41) TYMPKDM4EALDH1A1MAPK14MAPT
SCHEMBL24625466 0.70 HTT (0.65) TYMPMEN1KMT2AALDH1A1MAPT
SCHEMBL9266330 0.70 TYMP (0.50) TYMPPTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8119914-A None JP disclosed
US-5616802-A HEAT RESISTANCE, CHEMICAL RESISTANCE, WEATHERPROOFING, WORKABILITY, RADIATION TRANSPARENT, RADIATION RESISTANCE, CRYSTALLIZABILITY FUJI XEROX CO., LTD. (JP) 1997-04-01 US disclosed
JP-H08119914-A CYCLOBUTENDIONE DERIVATIVE, ITS PRODUCTION AND NONLINEAR OPTICAL ELEMENT USING THE SAME FUJI XEROX CO LTD 1996-05-14 JP disclosed