SCHEMBL10737796

SCHEMBL10737796

CCCC[Sn](CCCC)(CCCC)Sc1nc2cc(C(F)(F)F)ccc2c(=O)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.47
▸ PDE7B Q9NP56 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CHEK1 O14757 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MAT2A P31153 1/20 0.41
▸ CTSD P07339 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL10736059 0.86 PDE7A (0.50) PDE7APDE7BALDH1A1CHEK1LMNA
SCHEMBL10733969 0.85 PDE7A (0.63) PDE7APDE7BALDH1A1CHEK1LMNA
SCHEMBL10739859 0.83 RORA (0.46) ALDH1A1KCNH2HRH3CTSDSMN1; SMN2
SCHEMBL10741952 0.81 PDE7A (0.44) PDE7APDE7BALDH1A1LMNAKCNH2
SCHEMBL10740743 0.77 LMNA (0.65) PDE7APDE7BALDH1A1LMNANPY1R
SCHEMBL10737344 0.77 KDR (0.54) PDE7AALDH1A1LMNAMAPT
SCHEMBL10742041 0.74 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPT
SCHEMBL10742088 0.71 ALDH1A1 (0.44) PDE7APDE7BALDH1A1LMNANPY1R
SCHEMBL10735119 0.70 TDP1 (0.57) ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL10827393 0.69 LMNA (0.49) ALDH1A1LMNAKCNH2HRH3MAT2A

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-4652558-A FUNGICIDES, INSECTICIDES CHEVRON RESEARCH COMPANY (US) 1987-03-24 — — US disclosed
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