SCHEMBL9871945

SCHEMBL9871945

Cc1ccccc1Nc1ccc(N2CSCN(c3ccc(Nc4ccccc4C)cc3)C2=S)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.37
CDK2 P24941 6/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNK O75909 5/20 0.37
CCND3 P30281 5/20 0.37
CDK9 P50750 5/20 0.37
CDK6 Q00534 5/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
P2RX7 Q99572 2/20 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
SCHEMBL9871952 0.85 LMNA (0.36) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL9872546 0.83 CCNA2 (0.41) CCNA2CDK2GAAMAPTTDP1
SCHEMBL9871548 0.82 ALDH1A1 (0.45) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL108882 0.74 MAPT (0.54) GAAMAPTTDP1SMN1; SMN2MEN1
SCHEMBL29653984 0.74 MAPT (0.54) GAAMAPTTDP1SMN1; SMN2MEN1
SCHEMBL7027050 0.69 MAPT (0.64) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL9872551 0.69 SMN1; SMN2 (0.36) CCNA2CDK2GAAMAPTTDP1
SCHEMBL29940926 0.69 HPGD (0.60) GAAMAPTTDP1LMNAMEN1
SCHEMBL3686455 0.69 GAA (0.64) GAAMAPTTDP1MEN1KMT2A
SCHEMBL512863 0.69 MAPT (0.48) GAAMAPTTDP1SMN1; SMN2MEN1

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
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed