SCHEMBL10733969

SCHEMBL10733969

CCCC[Sn](CCCC)(CCCC)Sc1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 8/20 0.63
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CHEK1 O14757 2/20 0.51
▸ TGM2 P21980 1/20 0.49
▸ PLA2G1B P04054 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL10740743 0.90 LMNA (0.65) PDE7AALDH1A1LMNANPY1RNPY2R
SCHEMBL10736059 0.89 PDE7A (0.50) PDE7AALDH1A1LMNANPY1RNPY2R
SCHEMBL10737796 0.85 PDE7A (0.47) PDE7AALDH1A1LMNANPY1RNPY2R
SCHEMBL10737344 0.83 KDR (0.54) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL10735119 0.83 TDP1 (0.57) ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL10742088 0.82 ALDH1A1 (0.44) PDE7AALDH1A1LMNANPY1RNPY2R
SCHEMBL10739940 0.81 TDP1 (0.64) ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL10742659 0.80 TSHR (0.48) PDE7AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL10735431 0.80 MEN1 (0.65) PDE7AALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL18239988 0.78 PDE7A (1.00) PDE7AALDH1A1PDE7BSMN1; SMN2PTGS2

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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