SCHEMBL9733469

SCHEMBL9733469

CN1CCN(Cc2nc3sc(S(N)(=O)=O)cc3c(=O)n2-c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 8/20 0.44
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL9734163 0.86 HIF1A (0.48) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL9734943 0.83 HIF1A (0.44) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL9733959 0.81 ALDH1A1 (0.56) MAPTKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9733292 0.79 MEN1 (0.45) KMT2AMEN1ALDH1A1HIF1ACYP2C19
SCHEMBL9733574 0.77 KMT2A (0.45) KMT2AMEN1ALDH1A1HIF1ALMNA
SCHEMBL9733634 0.76 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HIF1ALMNA
SCHEMBL9733389 0.72 ALDH1A1 (0.42) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL9733681 0.71 ALDH1A1 (0.45) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9737918 0.71 ALDH1A1 (0.62) MAPTALDH1A1HIF1ALMNAKDM4E

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