SCHEMBL11254271

SCHEMBL11254271

CCOC(=O)c1nc2ccccc2nc1SC=NN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GRK6 P43250 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
GLP1R P43220 1/20 0.38
TARBP2 Q15633 1/20 0.38

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
SCHEMBL11262770 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11250171 0.78 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11250168 0.78 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11254260 0.77 HSD17B10 (0.49) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL28427552 0.75 TARBP2 (0.46) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2025252 0.73 LMNA (0.57) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11272379 0.73 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11272377 0.73 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL11251471 0.72 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1CYP1A2TSHR
SCHEMBL28429182 0.72 MAPT (0.67) KMT2AMEN1KDM4EL3MBTL1ALDH1A1

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-4349674-A Quinoalinyl esters of carbamimidothioic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-14 US claimed
US-4349674-A Quinoalinyl esters of carbamimidothioic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-14 US disclosed