SCHEMBL7298205

SCHEMBL7298205

CCC([O])Sc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SERPINH1 P50454 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL12112006 0.78 TSHR (0.44) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL9601062 0.78 ALDH1A1 (0.44) MAPK1ALDH1A1TDP1MAPTHTT
SCHEMBL11309197 0.77 MAPK1 (0.42) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL7297677 0.76 MAPK1 (0.46) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL19301482 0.73 CYP3A4 (0.39) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL14123914 0.72 SMN1; SMN2 (0.39) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL12112007 0.71 TSHR (0.41) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL12112004 0.70 MAPK1 (0.50) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL2939873 0.70 MAPK1 (0.50) MAPK1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL14254642 0.70 LMNA (0.49) MAPK1TSHRCYP3A4ALDH1A1TDP1

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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 — — EP disclosed
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