SCHEMBL9734017

SCHEMBL9734017

CN1CCN(Cc2nc3sc(S(N)(=O)=O)cc3c(=O)n2-c2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HIF1A Q16665 2/20 0.46
PKM P14618 1/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
IDO2 Q6ZQW0 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 2/20 0.39
GRM2 Q14416 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL9734163 0.90 HIF1A (0.48) ALDH1A1KMT2AMEN1HIF1AIDO1
SCHEMBL9734943 0.87 HIF1A (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL9733469 0.87 MAPT (0.44) ALDH1A1KMT2AMEN1HIF1APKM
SCHEMBL9733389 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL9737918 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HIF1APKMMAPT
SCHEMBL9733292 0.82 MEN1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL9733574 0.82 KMT2A (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL9733634 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL9733819 0.80 L3MBTL1 (0.46) ALDH1A1PKMMAPTKDM4EHTT
SCHEMBL9734030 0.74 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1PKMMAPT

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 3 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 claimed
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