SCHEMBL9733822

SCHEMBL9733822

CCOC(=O)c1sc(NC(=O)C(Cl)c2ccccc2Cl)c(C(N)=O)c1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 3/20 0.55
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.46
BRAF P15056 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL26424875 0.76 HPGD (0.66) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL31701605 0.75 MAPT (0.66) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL17988255 0.75 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL9733812 0.69 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL27075492 0.69 HSD17B10 (0.67) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL29714590 0.69 HSD17B10 (0.71) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL31701624 0.69 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL9732938 0.69 MAPT (0.78) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL5322140 0.68 CASP1 (0.57) ALDH1A1HPGDLMNASMN1; SMN2TSHR
SCHEMBL31702048 0.68 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ELMNAPOLB

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