SCHEMBL9650787

SCHEMBL9650787

C=CCOc1ccc(-c2ncc(C(=O)Oc3ccc(C#N)cc3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
MMP2 P08253 4/20 0.41
THRB P10828 1/20 0.41
XDH P47989 1/20 0.40
MMP3 P08254 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
F2 P00734 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38

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
SCHEMBL9650616 0.88 POLB (0.44) POLBTP53MAPTLMNAMMP2
SCHEMBL5855876 0.88 MMP2 (0.48) POLBTP53MAPTLMNAADORA3
SCHEMBL10581417 0.88 MMP2 (0.48) POLBTP53MAPTLMNAADORA3
SCHEMBL2831629 0.86 MAPT (0.49) POLBMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL2364296 0.86 MAPT (0.49) POLBMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL10582715 0.84 MAPT (0.43) POLBTP53MAPTLMNATHRB
SCHEMBL10452305 0.83 MMP2 (0.41) TP53MAPTADORA3ADORA1MMP2
SCHEMBL10451577 0.83 ALDH1A1 (0.39) MAPTADORA3ADORA1MMP2MMP3
SCHEMBL12242462 0.82 POLB (0.41) POLBTP53MAPTLMNAMMP2
SCHEMBL6394837 0.81 ALDH1A1 (0.51) POLBMAPTALDH1A1CYP1A2CYP2D6

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