SCHEMBL5322150

SCHEMBL5322150

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC(O)CN3CCN(c4ncccn4)CC3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A7 Q99884 1/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL5325651 0.91 LMNA (0.47) KDM4EMAPTMEN1KMT2ADRD4
SCHEMBL5325599 0.87 KDM4E (0.38) KDM4EMAPTMEN1KMT2AABCB1
SCHEMBL5321659 0.86 ALOX15 (0.43) KDM4EMAPTMEN1KMT2AABCB1
SCHEMBL5285665 0.85 HSD17B10 (0.35) KDM4EMAPTMEN1KMT2AABCB1
SCHEMBL14622410 0.85 MAPT (0.43) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5323186 0.84 MAPT (0.51) KDM4EMAPTMEN1KMT2AHTR1A
SCHEMBL5322162 0.83 SLC6A7 (0.41) KDM4EMAPTMEN1KMT2AHTR1A
SCHEMBL14622908 0.83 DRD2 (0.38) HTR1ADRD2DRD3
SCHEMBL5321578 0.80 PTGS2 (0.37) MAPTLMNASMN1; SMN2
SCHEMBL5323252 0.80 PTGS2 (0.35) MAPTLMNAMAPK1SMN1; SMN2

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
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed