SCHEMBL9733604

SCHEMBL9733604

NS(=O)(=O)c1cc2c(=O)n(-c3ccccc3Cl)c(CO)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MALT1 Q9UDY8 2/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 2/20 0.36
CA2 P00918 1/20 0.36
APLNR P35414 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9734002 0.89 MALT1 (0.47) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733681 0.89 ALDH1A1 (0.45) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733487 0.88 MALT1 (0.39) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733850 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733299 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733701 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733685 0.85 CA2 (0.41) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9733424 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9734019 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL9734163 0.83 HIF1A (0.48) ALDH1A1CYP2D6CYP2C19HPGDCA2

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