SCHEMBL9650800

SCHEMBL9650800

C=CCOc1ccc(-c2ncc(C(=O)O)c(-c3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
MMP2 P08253 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
XDH P47989 4/20 0.38
MMP3 P08254 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALKBH1 Q13686 1/20 0.36

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
SCHEMBL9650630 0.86 BRS3 (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10582730 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9650781 0.85 XDH (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2364297 0.78 MMP2 (0.45) SMN1; SMN2KDM4ELMNAMAPTADORA3
SCHEMBL10582709 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9650514 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9194383 0.77 MMP2 (0.47) SMN1; SMN2KDM4ELMNAMAPTADORA3
SCHEMBL9650787 0.77 POLB (0.46) ALDH1A1LMNAMAPTADORA3ADORA1
SCHEMBL10452305 0.77 MMP2 (0.41) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10451577 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMAPK1ADORA3

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-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US claimed