SCHEMBL11286274

SCHEMBL11286274

COc1nc(N=C=S)nc2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
APLNR P35414 1/20 0.34
ACHE P22303 7/20 0.34
BCHE P06276 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GAA P10253 2/20 0.34
ABCB1 P08183 2/20 0.33
TUBB3 Q13509 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL23599720 0.70 HTR2C (0.46) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL30598372 0.70 TUBB3 (0.49) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL26114011 0.68 TUBB3 (0.48) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL31333062 0.68 HTR2C (0.45) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL3587274 0.68 KDM4E (0.55) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL8099775 0.66 KMT2A (0.48) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL10509802 0.65 APLNR (0.35) APLNRALDH1A1MEN1KMT2A
SCHEMBL7314262 0.65 KDM4E (0.60) HTR2CACHEBCHEKDM4EALDH1A1
SCHEMBL1068543 0.63 SMN1; SMN2 (0.54) HTR2CACHEKDM4EALDH1A1EDNRB
SCHEMBL9877006 0.62 L3MBTL1 (0.47) APLNRKDM4EALDH1A1HPGDCYP1A2

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-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed