SCHEMBL8194166

SCHEMBL8194166

O=C1C=CNC(C(=O)c2c(I)ccc3ccccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LDHA P00338 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL3370074 0.66 HSD17B10 (0.59) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL4124403 0.65 NCEH1 (0.55) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL4960213 0.64 NCEH1 (0.42) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL27990064 0.63 TAS1R3 (0.45) MEN1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL7964391 0.63 SMN1; SMN2 (0.51) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL13301683 0.61 KMT2A (0.41) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL22129863 0.60 HPRT1 (0.50) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL4959304 0.59 PTPN22 (0.60) ALDH1A1USP2HPGDHSD17B10LDHA
Hydrochloric Acid SCHEMBL11726958 0.56 KMT2A (0.57) MEN1ALDH1A1KMT2AUSP2HPGD
SCHEMBL10333567 0.55

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
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 WO disclosed