SCHEMBL10740743

SCHEMBL10740743

CCCC[Sn](CCCC)(CCCC)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.65
▸ ALDH1A1 P00352 6/20 0.60
▸ PTGS2 P35354 4/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ GAA P10253 1/20 0.55
▸ PDE7A Q13946 3/20 0.53
▸ PDE7B Q9NP56 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.51

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
SCHEMBL10733969 0.90 PDE7A (0.63) LMNAALDH1A1PTGS2TSHRMEN1
SCHEMBL10736059 0.80 PDE7A (0.50) LMNAALDH1A1PDE7APDE7BNPY1R
SCHEMBL4957798 0.78 MEN1 (0.86) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10737796 0.77 PDE7A (0.47) LMNAALDH1A1PTGS2PDE7APDE7B
SCHEMBL10735119 0.77 TDP1 (0.57) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL10742088 0.76 ALDH1A1 (0.44) LMNAALDH1A1TSHRPDE7APDE7B
SCHEMBL10739940 0.75 TDP1 (0.64) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL10737344 0.75 KDR (0.54) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29175100 0.75 ALDH1A1 (0.70) LMNAALDH1A1PTGS2TSHRMEN1
SCHEMBL10742659 0.74 TSHR (0.48) LMNAALDH1A1TSHRCYP3A4CYP2C9

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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