SCHEMBL9809071

SCHEMBL9809071

CCn1c(C)c(SC#N)c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
NOX4 Q9NPH5 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
GAA P10253 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
MAT2A P31153 1/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL9809085 0.86 L3MBTL1 (0.38) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL9809067 0.86 CYP19A1 (0.42) KDM4ENPSR1BCHEALDH1A1MAPT
SCHEMBL9809061 0.77 MGLL (0.37) KDM4EMGLLALDH1A1MAPTL3MBTL1
SCHEMBL9809114 0.76 CYP19A1 (0.43) KDM4ENPSR1BCHEALDH1A1MAPT
SCHEMBL9809076 0.72 ALDH1A1 (0.44) KDM4ENPSR1ALDH1A1MAPTTSHR
SCHEMBL9809093 0.71 KMT2A (0.41) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL9809118 0.70 POLB (0.42) NPSR1BCHEALDH1A1TSHRGAA
SCHEMBL9809064 0.70 NOX4 (0.45) BCHEALDH1A1MAPTNOX4GAA
SCHEMBL9809062 0.69 CYP19A1 (0.38) BCHEALDH1A1MAPTL3MBTL1TSHR
SCHEMBL3882745 0.68 CYP19A1 (0.56) KDM4EBCHEALDH1A1MAPTL3MBTL1

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed