SCHEMBL9195051

SCHEMBL9195051

CCOC(=O)c1cc(SC)ccc1NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
NPSR1 Q6W5P4 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
NUDT1 P36639 1/20 0.42

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
SCHEMBL11724076 0.83 TSHR (0.56) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL19436594 0.81 CYP1A2 (0.54) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL10443550 0.80 CA12 (0.66) KDM4ETSHRHPGDKMT2ACA12
SCHEMBL6866819 0.79 TSHR (0.47) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL8086920 0.79 KDM4E (0.59) KDM4EALDH1A1TSHRHPGDMAPT
SCHEMBL9790177 0.78 CA12 (0.50) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL4001314 0.78 MAPT (0.49) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL9200116 0.75 ALDH1A1 (0.49) KDM4ENPSR1ALDH1A1TSHRLMNA
SCHEMBL3998969 0.75 MAPT (0.51) KDM4EALDH1A1TSHRLMNAHPGD
SCHEMBL619175 0.74 TSHR (0.69) KDM4ENPSR1ALDH1A1TSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639182-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed
WO-1992018483-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed