SCHEMBL9354239

SCHEMBL9354239

O=C(OCCOCn1c(Sc2ccccc2)cc(=O)[nH]c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 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
SCHEMBL9357384 0.77 DUT (0.56) ALDH1A1KMT2AMEN1LMNACYP2C19
SCHEMBL8531246 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL15512301 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL3870579 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL1555414 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL15512375 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL15512201 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL205788 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL15512282 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA
SCHEMBL15512622 0.68 TDP1 (0.73) ALDH1A1TDP1KMT2ASMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371139-B1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS MITSUBISHI CHEM IND (JP) 1994-10-12 EP disclosed
US-5112835-A 6-SUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING THE SAME AS ACTIVE INGREDIENT THEREOF MITSUBISHI KASEI CORPORATION (JP) 1992-05-12 US disclosed
EP-0371139-A1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS Mitsubishi Chemical Corporation (JP) 1990-06-06 EP disclosed