SCHEMBL9316074

SCHEMBL9316074

CCOC(=O)c1ccc(N2CCc3[nH]c4c(cnc5cc(Cl)ccc54)c3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCL1 Q07820 1/20 0.43
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK10 P53779 1/20 0.41
IDE P14735 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
METAP1 P53582 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL9316646 0.85 MEN1 (0.49) KDM4EMAPK1ALDH1A1POLBALOX15
SCHEMBL9316047 0.81 GPR119 (0.40) KDM4EALDH1A1HTT
SCHEMBL10481976 0.79 MAPT (0.53) MAPK1ALDH1A1POLBMCL1MAPT
SCHEMBL9315594 0.78 PARP1 (0.36) ALOX15HSD17B10MAPTGAAMEN1
SCHEMBL9315615 0.73 PTGDR2 (0.48) MAPK1ALOX15MCL1MAPTGAA
SCHEMBL9315614 0.73 PTGDR2 (0.48) MAPK1ALOX15MCL1MAPTGAA
SCHEMBL9316061 0.73 BAZ2B (0.45) KDM4EMAPK1ALDH1A1MCL1MAPT
SCHEMBL9314844 0.71 CFTR (0.42) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9314695 0.71 TRPV1 (0.47) MAPK1ALDH1A1ALOX15HSD17B10MCL1
SCHEMBL9314846 0.70 BAZ2B (0.46) KDM4EMAPK1ALDH1A1ALOX15HSD17B10

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-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed