SCHEMBL9733574

SCHEMBL9733574

CCN1CCN(Cc2nc3sc(S(N)(=O)=O)cc3c(=O)n2-c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 9/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9738194 0.88 KMT2A (0.42) KMT2AMEN1DRD4GRM2ALDH1A1
SCHEMBL9734083 0.87 ALDH1A1 (0.43) KMT2AMEN1DRD4GRM2ALDH1A1
SCHEMBL9733292 0.86 MEN1 (0.45) KMT2AMEN1ALDH1A1HIF1ARXFP1
SCHEMBL9734017 0.82 ALDH1A1 (0.48) KMT2AMEN1GRM2ALDH1A1L3MBTL1
SCHEMBL9734920 0.81 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1APLNR
SCHEMBL9734163 0.79 HIF1A (0.48) KMT2AMEN1ALDH1A1HIF1A
SCHEMBL9734943 0.77 HIF1A (0.44) KMT2AMEN1DRD4ALDH1A1HIF1A
SCHEMBL9733634 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HIF1ASMN1; SMN2
SCHEMBL9733469 0.77 MAPT (0.44) KMT2AMEN1ALDH1A1L3MBTL1HIF1A
SCHEMBL9733484 0.74 MEN1 (0.48) KMT2AMEN1ALDH1A1HIF1ARXFP1

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-5124331-A Anticancer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-23 US disclosed
EP-0364598-A1 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-25 EP disclosed