SCHEMBL9734943

SCHEMBL9734943

CN1CCN(Cc2nc3sc(S(N)(=O)=O)cc3c(=O)n2-c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.44
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CA2 P00918 3/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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 0.87 ALDH1A1 (0.48) HIF1AIDO1TDO2IDO2CA2
SCHEMBL9734163 0.86 HIF1A (0.48) HIF1AIDO1TDO2IDO2CA2
SCHEMBL9733469 0.83 MAPT (0.44) HIF1AIDO1TDO2IDO2MAPT
SCHEMBL9733292 0.79 MEN1 (0.45) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9733574 0.77 KMT2A (0.45) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9733634 0.77 ALDH1A1 (0.54) HIF1AADORA2AADORA1CA2MEN1
SCHEMBL9733389 0.73 ALDH1A1 (0.42) HIF1AIDO1TDO2IDO2MAPT
SCHEMBL9733681 0.71 ALDH1A1 (0.45) IDO1TDO2IDO2HPGDALDH1A1
SCHEMBL9737918 0.71 ALDH1A1 (0.62) HIF1AMAPTALDH1A1SMN1; SMN2
SCHEMBL9733850 0.70 ALDH1A1 (0.41) CA2MAPTHPGDMEN1KMT2A

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