SCHEMBL9733389

SCHEMBL9733389

CN1CCN(Cc2nc3sc(S(=O)(=O)n4ccnc4)cc3c(=O)n2-c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
GRM2 Q14416 1/20 0.35
HTR6 P50406 2/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
PARP1 P09874 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL9734017 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL9734163 0.75 HIF1A (0.48) ALDH1A1KMT2AMEN1HIF1AMAPT
SCHEMBL9734943 0.73 HIF1A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL9733469 0.72 MAPT (0.44) ALDH1A1KMT2AMEN1HIF1AMAPT
SCHEMBL9738194 0.69 KMT2A (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL9737918 0.69 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HIF1AMAPTKDM4E
SCHEMBL9733292 0.68 MEN1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL9733574 0.68 KMT2A (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL15798247 0.67 KMT2A (0.86) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL9733634 0.66 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2HIF1A

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